data_UMD1651e_a
_audit_creation_method             SHELXL-2014/6
_shelxl_version_number             2014/6
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C14 H19 N2 O2, C4 H3 O4'
_chemical_formula_sum              'C18 H22 N2 O6'
_chemical_formula_weight           362.37
_chemical_melting_point            ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_space_group_crystal_system        'monoclinic'
_space_group_IT_number             14
_space_group_name_H-M_alt          'P 1 21/c 1'
_space_group_name_Hall             '-P 2ybc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'

_cell_length_a                     13.0233(11)
_cell_length_b                     7.4823(6)
_cell_length_c                     19.1016(15)
_cell_angle_alpha                  90
_cell_angle_beta                   103.251(3)
_cell_angle_gamma                  90
_cell_volume                       1811.8(3)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      9320
_cell_measurement_temperature      296(2)
_cell_measurement_theta_max        25.27
_cell_measurement_theta_min        3.00
_shelx_estimated_absorpt_T_max     0.980
_shelx_estimated_absorpt_T_min     0.973
_exptl_absorpt_coefficient_mu      0.100
_exptl_absorpt_correction_T_max    0.745
_exptl_absorpt_correction_T_min    0.716
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     sadabs
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              colourless
_exptl_crystal_density_diffrn      1.328
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         BLOCK
_exptl_crystal_F_000               768
_exptl_crystal_size_max            0.270
_exptl_crystal_size_mid            0.220
_exptl_crystal_size_min            0.200
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0366
_diffrn_reflns_av_unetI/netI       0.0144
_diffrn_reflns_Laue_measured_fraction_full  0.999
_diffrn_reflns_Laue_measured_fraction_max  0.997
_diffrn_reflns_limit_h_max         15
_diffrn_reflns_limit_h_min         -15
_diffrn_reflns_limit_k_max         9
_diffrn_reflns_limit_k_min         -9
_diffrn_reflns_limit_l_max         23
_diffrn_reflns_limit_l_min         -22
_diffrn_reflns_number              43099
_diffrn_reflns_point_group_measured_fraction_full  0.999
_diffrn_reflns_point_group_measured_fraction_max  0.997
_diffrn_reflns_theta_full          25.000
_diffrn_reflns_theta_max           25.409
_diffrn_reflns_theta_min           2.935
_diffrn_ambient_temperature        296(2)
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.999
_diffrn_measured_fraction_theta_max  0.997
_diffrn_measurement_device_type    'Bruker APEX-III Cmos'
_diffrn_measurement_method         'φ and ω scans'
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     ?
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  2786
_reflns_number_total               3320
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'Bruker SAINT'
_computing_data_collection         'Bruker APEX3'
_computing_data_reduction          'Bruker SAINT'
_computing_molecular_graphics      'Bruker SHELXTL'
_computing_publication_material    'Bruker SHELXTL'
_computing_structure_refinement    'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution      'SHELXS-97 (Sheldrick 2008)'
_refine_diff_density_max           0.338
_refine_diff_density_min           -0.240
_refine_diff_density_rms           0.037
_refine_ls_extinction_coef         0.060(3)
_refine_ls_extinction_expression  
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_extinction_method       SHELXL
_refine_ls_goodness_of_fit_ref     1.037
_refine_ls_hydrogen_treatment      mixed
_refine_ls_matrix_type             full
_refine_ls_number_parameters       251
_refine_ls_number_reflns           3320
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0522
_refine_ls_R_factor_gt             0.0419
_refine_ls_restrained_S_all        1.037
_refine_ls_shift/su_max            0.000
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0474P)²+0.8486P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1024
_refine_ls_wR_factor_ref           0.1118
_refine_special_details            ?
_olex2_refinement_description
;
1. Others
 Fixed Uiso: H1A(0.114) H1B(0.114) H1C(0.114) H4(0.065) H5(0.076) H6(0.069)
 H8(0.063) H11A(0.061) H11B(0.061) H12A(0.06) H12B(0.06) H13A(0.111)
 H13B(0.111) H13C(0.111) H14A(0.1) H14B(0.1) H14C(0.1) H16(0.048) H17(0.049)
 Fixed X: H1A(0.0732) H1B(0.1546) H1C(0.034) H4(-0.0683) H5(-0.0645)
 H6(0.0849) H8(0.4032) H11A(0.3139) H11B(0.4027) H12A(0.3251) H12B(0.2155)
 H13A(0.2512) H13B(0.2058) H13C(0.1694) H14A(0.3619) H14B(0.2865) H14C(0.4046)
 H16(0.5111) H17(0.7029)
 Fixed Y: H1A(0.7785) H1B(0.6389) H1C(0.6147) H4(0.8736) H5(1.0078) H6(1.0013)
 H8(0.7218) H11A(0.7151) H11B(0.6292) H12A(0.4196) H12B(0.4524) H13A(0.2049)
 H13B(0.3938) H13C(0.225) H14A(0.0504) H14B(0.0958) H14C(0.1575) H16(0.0348)
 H17(0.0959)
 Fixed Z: H1A(0.6132) H1B(0.5973) H1C(0.563) H4(0.3653) H5(0.2568) H6(0.2124)
 H8(0.3422) H11A(0.4989) H11B(0.4673) H12A(0.5284) H12B(0.4756) H13A(0.3329)
 H13B(0.3447) H13C(0.3812) H14A(0.4377) H14B(0.4884) H14C(0.5089) H16(0.3498)
 H17(0.3213)
;
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary       ?
_atom_sites_solution_secondary     ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 O1 O 0.07682(10) 0.70644(16) 0.45320(6) 0.0476(3) Uani 1 1 d . . . . .
 O2 O 0.13029(12) 0.9574(2) 0.51425(7) 0.0646(4) Uani 1 1 d . . . . .
 O3 O 0.48881(11) 0.36214(17) 0.37947(8) 0.0587(4) Uani 1 1 d . . . . .
 O4 O 0.62553(10) 0.39954(15) 0.33183(7) 0.0503(4) Uani 1 1 d . . . . .
 O5 O 0.73450(13) -0.23345(19) 0.30134(11) 0.0797(5) Uani 1 1 d . . . . .
 O6 O 0.58972(10) -0.26771(16) 0.34101(8) 0.0547(4) Uani 1 1 d . . . . .
 H6A H 0.604(2) -0.396(4) 0.3366(14) 0.090(8) Uiso 1 1 d . . . . .
 N1 N 0.27096(15) 0.8395(2) 0.28328(10) 0.0566(5) Uani 1 1 d . . . . .
 H1 H 0.295(2) 0.874(4) 0.2473(15) 0.093(9) Uiso 1 1 d . . . . .
 N2 N 0.31503(12) 0.30815(19) 0.43052(8) 0.0416(4) Uani 1 1 d . . . . .
 H2 H 0.3707(17) 0.342(3) 0.4128(11) 0.058(6) Uiso 1 1 d . . . . .
 C1 C 0.0898(2) 0.7003(4) 0.57751(12) 0.0758(7) Uani 1 1 d . . . . .
 H1A H 0.0732 0.7785 0.6132 0.114 Uiso 1 1 calc R U . . .
 H1B H 0.1546 0.6389 0.5973 0.114 Uiso 1 1 calc R U . . .
 H1C H 0.0340 0.6147 0.5630 0.114 Uiso 1 1 calc R U . . .
 C2 C 0.10133(14) 0.8069(3) 0.51392(10) 0.0482(4) Uani 1 1 d . . . . .
 C3 C 0.08156(13) 0.7910(2) 0.38806(9) 0.0383(4) Uani 1 1 d . . . . .
 C4 C -0.00660(15) 0.8716(3) 0.34852(11) 0.0539(5) Uani 1 1 d . . . . .
 H4 H -0.0683 0.8736 0.3653 0.065 Uiso 1 1 calc R U . . .
 C5 C -0.00426(18) 0.9510(3) 0.28292(11) 0.0632(6) Uani 1 1 d . . . . .
 H5 H -0.0645 1.0078 0.2568 0.076 Uiso 1 1 calc R U . . .
 C6 C 0.08405(19) 0.9476(2) 0.25614(10) 0.0573(5) Uani 1 1 d . . . . .
 H6 H 0.0849 1.0013 0.2124 0.069 Uiso 1 1 calc R U . . .
 C7 C 0.17288(15) 0.8615(2) 0.29621(9) 0.0430(4) Uani 1 1 d . . . . .
 C8 C 0.33308(15) 0.7520(2) 0.33927(12) 0.0526(5) Uani 1 1 d . . . . .
 H8 H 0.4032 0.7218 0.3422 0.063 Uiso 1 1 calc R U . . .
 C9 C 0.27930(13) 0.7139(2) 0.39072(9) 0.0394(4) Uani 1 1 d . . . . .
 C10 C 0.17483(12) 0.7828(2) 0.36379(8) 0.0337(4) Uani 1 1 d . . . . .
 C11 C 0.32689(15) 0.6338(2) 0.46234(11) 0.0511(5) Uani 1 1 d . . . . .
 H11A H 0.3139 0.7151 0.4989 0.061 Uiso 1 1 calc R U . . .
 H11B H 0.4027 0.6292 0.4673 0.061 Uiso 1 1 calc R U . . .
 C12 C 0.29102(16) 0.4498(2) 0.47921(10) 0.0498(5) Uani 1 1 d . . . . .
 H12A H 0.3251 0.4196 0.5284 0.060 Uiso 1 1 calc R U . . .
 H12B H 0.2155 0.4524 0.4756 0.060 Uiso 1 1 calc R U . . .
 C13 C 0.2277(2) 0.2805(3) 0.36675(12) 0.0740(7) Uani 1 1 d . . . . .
 H13A H 0.2512 0.2049 0.3329 0.111 Uiso 1 1 calc R U . . .
 H13B H 0.2058 0.3938 0.3447 0.111 Uiso 1 1 calc R U . . .
 H13C H 0.1694 0.2250 0.3812 0.111 Uiso 1 1 calc R U . . .
 C14 C 0.34462(19) 0.1379(3) 0.46985(14) 0.0664(6) Uani 1 1 d . . . . .
 H14A H 0.3619 0.0504 0.4377 0.100 Uiso 1 1 calc R U . . .
 H14B H 0.2865 0.0958 0.4884 0.100 Uiso 1 1 calc R U . . .
 H14C H 0.4046 0.1575 0.5089 0.100 Uiso 1 1 calc R U . . .
 C15 C 0.55841(13) 0.3028(2) 0.35145(9) 0.0360(4) Uani 1 1 d . . . . .
 C16 C 0.56727(13) 0.1049(2) 0.34360(9) 0.0398(4) Uani 1 1 d . . . . .
 H16 H 0.5111 0.0348 0.3498 0.048 Uiso 1 1 calc R U . . .
 C17 C 0.64811(13) 0.0239(2) 0.32862(9) 0.0411(4) Uani 1 1 d . . . . .
 H17 H 0.7029 0.0959 0.3213 0.049 Uiso 1 1 calc R U . . .
 C18 C 0.66139(13) -0.1710(2) 0.32212(9) 0.0395(4) Uani 1 1 d . . . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 O1 C2 1.357(2) . ?
 O1 C3 1.410(2) . ?
 O2 C2 1.187(2) . ?
 O3 C15 1.2360(19) . ?
 O4 C15 1.2565(19) . ?
 O5 C18 1.207(2) . ?
 O6 H6A 0.99(3) . ?
 O6 C18 1.296(2) . ?
 N1 H1 0.86(3) . ?
 N1 C7 1.365(2) . ?
 N1 C8 1.353(3) . ?
 N2 H2 0.90(2) . ?
 N2 C12 1.490(2) . ?
 N2 C13 1.478(3) . ?
 N2 C14 1.484(2) . ?
 C1 H1A 0.9600 . ?
 C1 H1B 0.9600 . ?
 C1 H1C 0.9600 . ?
 C1 C2 1.490(3) . ?
 C3 C4 1.362(3) . ?
 C3 C10 1.397(2) . ?
 C4 H4 0.9300 . ?
 C4 C5 1.394(3) . ?
 C5 H5 0.9300 . ?
 C5 C6 1.362(3) . ?
 C6 H6 0.9300 . ?
 C6 C7 1.391(3) . ?
 C7 C10 1.414(2) . ?
 C8 H8 0.9300 . ?
 C8 C9 1.361(3) . ?
 C9 C10 1.435(2) . ?
 C9 C11 1.492(3) . ?
 C11 H11A 0.9700 . ?
 C11 H11B 0.9700 . ?
 C11 C12 1.512(3) . ?
 C12 H12A 0.9700 . ?
 C12 H12B 0.9700 . ?
 C13 H13A 0.9600 . ?
 C13 H13B 0.9600 . ?
 C13 H13C 0.9600 . ?
 C14 H14A 0.9600 . ?
 C14 H14B 0.9600 . ?
 C14 H14C 0.9600 . ?
 C15 C16 1.495(2) . ?
 C16 H16 0.9300 . ?
 C16 C17 1.302(2) . ?
 C17 H17 0.9300 . ?
 C17 C18 1.477(2) . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 C2 O1 C3 117.16(13) . . ?
 C18 O6 H6A 110.7(15) . . ?
 C7 N1 H1 129.5(19) . . ?
 C8 N1 H1 121.2(19) . . ?
 C8 N1 C7 109.27(16) . . ?
 C12 N2 H2 109.5(13) . . ?
 C13 N2 H2 105.2(13) . . ?
 C13 N2 C12 112.46(16) . . ?
 C13 N2 C14 111.02(17) . . ?
 C14 N2 H2 107.1(14) . . ?
 C14 N2 C12 111.21(15) . . ?
 H1A C1 H1B 109.5 . . ?
 H1A C1 H1C 109.5 . . ?
 H1B C1 H1C 109.5 . . ?
 C2 C1 H1A 109.5 . . ?
 C2 C1 H1B 109.5 . . ?
 C2 C1 H1C 109.5 . . ?
 O1 C2 C1 110.61(17) . . ?
 O2 C2 O1 122.83(17) . . ?
 O2 C2 C1 126.53(19) . . ?
 C4 C3 O1 119.10(16) . . ?
 C4 C3 C10 121.46(16) . . ?
 C10 C3 O1 119.38(15) . . ?
 C3 C4 H4 120.1 . . ?
 C3 C4 C5 119.87(19) . . ?
 C5 C4 H4 120.1 . . ?
 C4 C5 H5 119.2 . . ?
 C6 C5 C4 121.62(18) . . ?
 C6 C5 H5 119.2 . . ?
 C5 C6 H6 121.0 . . ?
 C5 C6 C7 118.01(18) . . ?
 C7 C6 H6 121.0 . . ?
 N1 C7 C6 130.62(18) . . ?
 N1 C7 C10 107.06(16) . . ?
 C6 C7 C10 122.28(17) . . ?
 N1 C8 H8 124.5 . . ?
 N1 C8 C9 111.00(17) . . ?
 C9 C8 H8 124.5 . . ?
 C8 C9 C10 105.57(16) . . ?
 C8 C9 C11 124.86(17) . . ?
 C10 C9 C11 129.29(15) . . ?
 C3 C10 C7 116.73(15) . . ?
 C3 C10 C9 136.17(15) . . ?
 C7 C10 C9 107.10(14) . . ?
 C9 C11 H11A 107.7 . . ?
 C9 C11 H11B 107.7 . . ?
 C9 C11 C12 118.53(15) . . ?
 H11A C11 H11B 107.1 . . ?
 C12 C11 H11A 107.7 . . ?
 C12 C11 H11B 107.7 . . ?
 N2 C12 C11 113.29(15) . . ?
 N2 C12 H12A 108.9 . . ?
 N2 C12 H12B 108.9 . . ?
 C11 C12 H12A 108.9 . . ?
 C11 C12 H12B 108.9 . . ?
 H12A C12 H12B 107.7 . . ?
 N2 C13 H13A 109.5 . . ?
 N2 C13 H13B 109.5 . . ?
 N2 C13 H13C 109.5 . . ?
 H13A C13 H13B 109.5 . . ?
 H13A C13 H13C 109.5 . . ?
 H13B C13 H13C 109.5 . . ?
 N2 C14 H14A 109.5 . . ?
 N2 C14 H14B 109.5 . . ?
 N2 C14 H14C 109.5 . . ?
 H14A C14 H14B 109.5 . . ?
 H14A C14 H14C 109.5 . . ?
 H14B C14 H14C 109.5 . . ?
 O3 C15 O4 123.46(15) . . ?
 O3 C15 C16 118.71(14) . . ?
 O4 C15 C16 117.75(14) . . ?
 C15 C16 H16 117.7 . . ?
 C17 C16 C15 124.60(15) . . ?
 C17 C16 H16 117.7 . . ?
 C16 C17 H17 116.8 . . ?
 C16 C17 C18 126.45(15) . . ?
 C18 C17 H17 116.8 . . ?
 O5 C18 O6 123.26(16) . . ?
 O5 C18 C17 121.76(16) . . ?
 O6 C18 C17 114.97(14) . . ?

loop_
  _geom_hbond_atom_site_label_D
  _geom_hbond_atom_site_label_H
  _geom_hbond_atom_site_label_A
  _geom_hbond_distance_DH
  _geom_hbond_distance_HA
  _geom_hbond_distance_DA
  _geom_hbond_angle_DHA
  _geom_hbond_site_symmetry_A
 O6 H6A O3 0.99(3) 2.60(3) 3.2218(18) 120.8(18) 1_545
 O6 H6A O4 0.99(3) 1.56(3) 2.5465(16) 178(2) 1_545
 N1 H1 O4 0.86(3) 2.03(3) 2.866(2) 165(3) 2_655
 N2 H2 O3 0.90(2) 1.80(2) 2.6922(19) 168(2) .
 C8 H8 O6 0.93 2.44 3.338(2) 163.6 1_565
 C12 H12B O1 0.97 2.59 3.329(2) 133.2 .
 C13 H13A O5 0.96 2.65 3.359(3) 130.6 2_655
 C14 H14B O2 0.96 2.43 3.379(3) 169.2 1_545

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 O1 C3 C4 C5 -178.04(16) . . . . ?
 O1 C3 C10 C7 176.57(13) . . . . ?
 O1 C3 C10 C9 -4.4(3) . . . . ?
 O3 C15 C16 C17 -165.73(18) . . . . ?
 O4 C15 C16 C17 11.3(3) . . . . ?
 N1 C7 C10 C3 179.69(14) . . . . ?
 N1 C7 C10 C9 0.40(17) . . . . ?
 N1 C8 C9 C10 0.5(2) . . . . ?
 N1 C8 C9 C11 -173.97(16) . . . . ?
 C2 O1 C3 C4 -90.7(2) . . . . ?
 C2 O1 C3 C10 92.34(18) . . . . ?
 C3 O1 C2 O2 -3.3(3) . . . . ?
 C3 O1 C2 C1 178.44(16) . . . . ?
 C3 C4 C5 C6 1.3(3) . . . . ?
 C4 C3 C10 C7 -0.3(2) . . . . ?
 C4 C3 C10 C9 178.74(17) . . . . ?
 C4 C5 C6 C7 0.2(3) . . . . ?
 C5 C6 C7 N1 -179.10(18) . . . . ?
 C5 C6 C7 C10 -1.7(3) . . . . ?
 C6 C7 C10 C3 1.8(2) . . . . ?
 C6 C7 C10 C9 -177.53(15) . . . . ?
 C7 N1 C8 C9 -0.2(2) . . . . ?
 C8 N1 C7 C6 177.58(18) . . . . ?
 C8 N1 C7 C10 -0.11(19) . . . . ?
 C8 C9 C10 C3 -179.62(18) . . . . ?
 C8 C9 C10 C7 -0.54(17) . . . . ?
 C8 C9 C11 C12 -115.2(2) . . . . ?
 C9 C11 C12 N2 62.5(2) . . . . ?
 C10 C3 C4 C5 -1.2(3) . . . . ?
 C10 C9 C11 C12 71.8(2) . . . . ?
 C11 C9 C10 C3 -5.5(3) . . . . ?
 C11 C9 C10 C7 173.59(16) . . . . ?
 C13 N2 C12 C11 -91.2(2) . . . . ?
 C14 N2 C12 C11 143.59(17) . . . . ?
 C15 C16 C17 C18 178.39(17) . . . . ?
 C16 C17 C18 O5 172.8(2) . . . . ?
 C16 C17 C18 O6 -7.9(3) . . . . ?

