#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:02:04 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179552 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/21/4502178.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4502178
loop_
_publ_author_name
'Zhang, Wei-Hong'
'Wang, Yao-Yu'
'Lermontova, Elmira Kh.'
'Yang, Guo-Ping'
'Liu, Bin'
'Jin, Jun-Cheng'
'Dong, Zhe'
'Shi, Qi-Zhen'
_publ_section_title
;
 Interaction of 1,3-Adamantanediacetic Acid (H2ADA) and Ditopic Pyridyl
 Subunits with Cobalt Nitrate under Hydrothermal Conditions: pH Influence,
 Crystal Structures, and Their Properties
;
_journal_issue                   1
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              76
_journal_paper_doi               10.1021/cg900285b
_journal_volume                  10
_journal_year                    2010
_chemical_formula_moiety         'C38 H50 Co N2 O10'
_chemical_formula_sum            'C38 H50 Co N2 O10'
_chemical_formula_weight         753.73
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.599(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.67(2)
_cell_length_b                   11.474(11)
_cell_length_c                   13.229(13)
_cell_measurement_temperature    296(2)
_cell_volume                     3586(6)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        APEX2
_computing_molecular_graphics    APEX2
_computing_publication_material  APEX2
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX SMART II'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0665
_diffrn_reflns_av_sigmaI/netI    0.0914
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8610
_diffrn_reflns_theta_full        25.09
_diffrn_reflns_theta_max         25.09
_diffrn_reflns_theta_min         1.97
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.540
_exptl_absorpt_correction_T_max  0.9272
_exptl_absorpt_correction_T_min  0.8276
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 1997)'
_exptl_crystal_colour            rosiness
_exptl_crystal_density_diffrn    1.396
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1596
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.403
_refine_diff_density_min         -0.520
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     233
_refine_ls_number_reflns         3184
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0924
_refine_ls_R_factor_gt           0.0487
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0303P)²+0.0100P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0911
_refine_ls_wR_factor_ref         0.0964
_reflns_number_gt                1712
_reflns_number_total             3184
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg900285b_si_001.cif
_cod_data_source_block           compound4
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4502178
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Co1 Co 0.0000 0.77426(5) 0.2500 0.0345(2) Uani 1 2 d S
N2 N 0.0000 0.5827(3) 0.2500 0.0362(10) Uani 1 2 d S
N1 N 0.0000 -0.0351(3) 0.2500 0.0350(10) Uani 1 2 d S
O1W O -0.03300(8) 0.77372(16) 0.09609(14) 0.0407(6) Uani 1 1 d .
H1WA H -0.0028 0.7795 0.0689 0.049 Uiso 1 1 d R
H1WB H -0.0526 0.8292 0.0816 0.049 Uiso 1 1 d R
O2 O 0.08149(8) 0.76960(18) 0.20440(17) 0.0415(6) Uani 1 1 d .
O1 O 0.07254(9) 0.77029(18) 0.03476(18) 0.0463(6) Uani 1 1 d .
O3 O 0.37227(9) 0.6294(2) 0.10711(17) 0.0571(7) Uani 1 1 d .
H3 H 0.3912 0.6557 0.0605 0.069 Uiso 1 1 d R
O4 O 0.39706(10) 0.4636(2) 0.0341(2) 0.0670(8) Uani 1 1 d .
C1 C -0.01662(14) 0.5221(3) 0.1673(3) 0.0456(9) Uani 1 1 d .
H1A H -0.0289 0.5628 0.1092 0.055 Uiso 1 1 calc R
C2 C -0.01641(14) 0.4006(3) 0.1638(2) 0.0457(9) Uani 1 1 d .
H2 H -0.0272 0.3617 0.1039 0.055 Uiso 1 1 calc R
C3 C 0.0000 0.3387(4) 0.2500 0.0354(12) Uani 1 2 d S
C4 C 0.0000 0.2080(4) 0.2500 0.0332(11) Uani 1 2 d S
C5 C -0.02567(14) 0.1462(3) 0.3243(2) 0.0421(9) Uani 1 1 d .
H5 H -0.0431 0.1848 0.3757 0.050 Uiso 1 1 calc R
C6 C -0.02484(13) 0.0252(3) 0.3208(2) 0.0419(9) Uani 1 1 d .
H6 H -0.0426 -0.0158 0.3705 0.050 Uiso 1 1 calc R
C7 C 0.10093(14) 0.7616(3) 0.1182(3) 0.0384(9) Uani 1 1 d .
C8 C 0.16485(12) 0.7384(3) 0.1179(3) 0.0426(9) Uani 1 1 d .
H8A H 0.1829 0.7665 0.1812 0.051 Uiso 1 1 calc R
H8B H 0.1800 0.7829 0.0635 0.051 Uiso 1 1 calc R
C9 C 0.18056(13) 0.6090(3) 0.1049(2) 0.0350(8) Uani 1 1 d .
C14 C 0.14711(14) 0.5297(3) 0.1728(3) 0.0484(10) Uani 1 1 d .
H14A H 0.1533 0.5540 0.2428 0.058 Uiso 1 1 calc R
H14B H 0.1070 0.5360 0.1537 0.058 Uiso 1 1 calc R
C13 C 0.16628(15) 0.4034(3) 0.1616(3) 0.0625(12) Uani 1 1 d .
H13 H 0.1449 0.3533 0.2055 0.075 Uiso 1 1 calc R
C16 C 0.23005(14) 0.3930(3) 0.1924(3) 0.0590(11) Uani 1 1 d .
H16A H 0.2368 0.4156 0.2628 0.071 Uiso 1 1 calc R
H16B H 0.2419 0.3126 0.1858 0.071 Uiso 1 1 calc R
C17 C 0.26495(14) 0.4708(3) 0.1259(3) 0.0434(9) Uani 1 1 d .
C15 C 0.24423(13) 0.5968(3) 0.1362(2) 0.0405(9) Uani 1 1 d .
H15A H 0.2657 0.6473 0.0940 0.049 Uiso 1 1 calc R
H15B H 0.2510 0.6219 0.2059 0.049 Uiso 1 1 calc R
C10 C 0.17079(15) 0.5697(3) -0.0041(3) 0.0530(10) Uani 1 1 d .
H10A H 0.1920 0.6191 -0.0476 0.064 Uiso 1 1 calc R
H10B H 0.1309 0.5765 -0.0251 0.064 Uiso 1 1 calc R
C11 C 0.18988(17) 0.4423(3) -0.0144(3) 0.0654(12) Uani 1 1 d .
H11 H 0.1830 0.4177 -0.0850 0.078 Uiso 1 1 calc R
C18 C 0.25352(15) 0.4335(3) 0.0154(3) 0.0591(11) Uani 1 1 d .
H18A H 0.2662 0.3539 0.0069 0.071 Uiso 1 1 calc R
H18B H 0.2744 0.4833 -0.0282 0.071 Uiso 1 1 calc R
C12 C 0.15534(17) 0.3652(3) 0.0529(4) 0.0794(14) Uani 1 1 d .
H12A H 0.1154 0.3722 0.0329 0.095 Uiso 1 1 calc R
H12B H 0.1663 0.2842 0.0457 0.095 Uiso 1 1 calc R
C19 C 0.32851(13) 0.4569(3) 0.1608(3) 0.0531(10) Uani 1 1 d .
H19A H 0.3343 0.4882 0.2288 0.064 Uiso 1 1 calc R
H19B H 0.3373 0.3744 0.1643 0.064 Uiso 1 1 calc R
C20 C 0.36963(15) 0.5150(3) 0.0947(3) 0.0491(10) Uani 1 1 d .
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'
Co Co 0.3494 0.9721 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O2 Co1 O2 177.02(12) . 2
O2 Co1 O1W 90.80(9) . .
O2 Co1 O1W 89.20(9) 2 .
O2 Co1 O1W 89.20(9) . 2
O2 Co1 O1W 90.80(9) 2 2
O1W Co1 O1W 179.67(11) . 2
O2 Co1 N1 91.49(6) . 1_565
O2 Co1 N1 91.49(6) 2 1_565
O1W Co1 N1 90.17(5) . 1_565
O1W Co1 N1 90.17(5) 2 1_565
O2 Co1 N2 88.51(6) . .
O2 Co1 N2 88.51(6) 2 .
O1W Co1 N2 89.83(5) . .
O1W Co1 N2 89.83(5) 2 .
N1 Co1 N2 180.000(1) 1_565 .
C1 N2 C1 117.2(4) . 2
C1 N2 Co1 121.4(2) . .
C1 N2 Co1 121.4(2) 2 .
C6 N1 C6 117.3(4) . 2
C6 N1 Co1 121.4(2) . 1_545
C6 N1 Co1 121.4(2) 2 1_545
Co1 O1W H1WA 98.1 . .
Co1 O1W H1WB 113.3 . .
H1WA O1W H1WB 109.7 . .
C7 O2 Co1 132.1(2) . .
C20 O3 H3 106.8 . .
N2 C1 C2 123.1(3) . .
N2 C1 H1A 118.4 . .
C2 C1 H1A 118.4 . .
C3 C2 C1 119.3(3) . .
C3 C2 H2 120.4 . .
C1 C2 H2 120.4 . .
C2 C3 C2 118.0(4) 2 .
C2 C3 C4 121.0(2) 2 .
C2 C3 C4 121.0(2) . .
C5 C4 C5 118.3(4) 2 .
C5 C4 C3 120.8(2) 2 .
C5 C4 C3 120.8(2) . .
C4 C5 C6 118.7(3) . .
C4 C5 H5 120.6 . .
C6 C5 H5 120.6 . .
N1 C6 C5 123.5(3) . .
N1 C6 H6 118.3 . .
C5 C6 H6 118.3 . .
O2 C7 O1 125.6(3) . .
O2 C7 C8 115.5(3) . .
O1 C7 C8 118.9(3) . .
C7 C8 C9 114.3(2) . .
C7 C8 H8A 108.7 . .
C9 C8 H8A 108.7 . .
C7 C8 H8B 108.7 . .
C9 C8 H8B 108.7 . .
H8A C8 H8B 107.6 . .
C10 C9 C14 109.1(3) . .
C10 C9 C8 111.7(3) . .
C14 C9 C8 111.6(3) . .
C10 C9 C15 108.5(3) . .
C14 C9 C15 108.7(3) . .
C8 C9 C15 107.2(2) . .
C13 C14 C9 109.8(3) . .
C13 C14 H14A 109.7 . .
C9 C14 H14A 109.7 . .
C13 C14 H14B 109.7 . .
C9 C14 H14B 109.7 . .
H14A C14 H14B 108.2 . .
C12 C13 C14 109.5(3) . .
C12 C13 C16 109.6(3) . .
C14 C13 C16 109.8(3) . .
C12 C13 H13 109.3 . .
C14 C13 H13 109.3 . .
C16 C13 H13 109.3 . .
C17 C16 C13 110.9(3) . .
C17 C16 H16A 109.5 . .
C13 C16 H16A 109.5 . .
C17 C16 H16B 109.5 . .
C13 C16 H16B 109.5 . .
H16A C16 H16B 108.0 . .
C18 C17 C16 108.4(3) . .
C18 C17 C15 108.0(3) . .
C16 C17 C15 108.1(3) . .
C18 C17 C19 111.4(3) . .
C16 C17 C19 108.4(3) . .
C15 C17 C19 112.3(3) . .
C17 C15 C9 111.9(3) . .
C17 C15 H15A 109.2 . .
C9 C15 H15A 109.2 . .
C17 C15 H15B 109.2 . .
C9 C15 H15B 109.2 . .
H15A C15 H15B 107.9 . .
C9 C10 C11 109.8(3) . .
C9 C10 H10A 109.7 . .
C11 C10 H10A 109.7 . .
C9 C10 H10B 109.7 . .
C11 C10 H10B 109.7 . .
H10A C10 H10B 108.2 . .
C12 C11 C18 111.4(3) . .
C12 C11 C10 109.1(3) . .
C18 C11 C10 109.2(3) . .
C12 C11 H11 109.0 . .
C18 C11 H11 109.0 . .
C10 C11 H11 109.0 . .
C17 C18 C11 109.8(3) . .
C17 C18 H18A 109.7 . .
C11 C18 H18A 109.7 . .
C17 C18 H18B 109.7 . .
C11 C18 H18B 109.7 . .
H18A C18 H18B 108.2 . .
C13 C12 C11 108.7(3) . .
C13 C12 H12A 110.0 . .
C11 C12 H12A 110.0 . .
C13 C12 H12B 110.0 . .
C11 C12 H12B 110.0 . .
H12A C12 H12B 108.3 . .
C20 C19 C17 115.5(3) . .
C20 C19 H19A 108.4 . .
C17 C19 H19A 108.4 . .
C20 C19 H19B 108.4 . .
C17 C19 H19B 108.4 . .
H19A C19 H19B 107.5 . .
O4 C20 O3 122.7(3) . .
O4 C20 C19 124.1(3) . .
O3 C20 C19 113.2(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O2 2.058(3) .
Co1 O2 2.058(3) 2
Co1 O1W 2.135(3) .
Co1 O1W 2.135(3) 2
Co1 N1 2.187(4) 1_565
Co1 N2 2.199(4) .
N2 C1 1.335(4) .
N2 C1 1.335(4) 2
N1 C6 1.331(3) .
N1 C6 1.331(3) 2
N1 Co1 2.187(4) 1_545
O1W H1WA 0.8225 .
O1W H1WB 0.8041 .
O2 C7 1.259(4) .
O1 C7 1.260(4) .
O3 C20 1.324(4) .
O3 H3 0.8399 .
O4 C20 1.215(4) .
C1 C2 1.395(4) .
C1 H1A 0.9300 .
C2 C3 1.379(4) .
C2 H2 0.9300 .
C3 C2 1.379(4) 2
C3 C4 1.500(5) .
C4 C5 1.384(3) 2
C4 C5 1.384(3) .
C5 C6 1.388(4) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C8 1.536(4) .
C8 C9 1.543(4) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.514(4) .
C9 C14 1.533(4) .
C9 C15 1.544(4) .
C14 C13 1.529(4) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C13 C12 1.509(5) .
C13 C16 1.543(5) .
C13 H13 0.9800 .
C16 C17 1.532(4) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C18 1.531(5) .
C17 C15 1.535(4) .
C17 C19 1.554(4) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C10 C11 1.539(5) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.529(5) .
C11 C18 1.536(5) .
C11 H11 0.9800 .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C19 C20 1.504(4) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
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
O3 H3 O1 0.84 1.78 2.620(3) 172.5 7_565
O1W H1WB O4 0.80 2.02 2.826(4) 175.5 3_455
O1W H1WA O2 0.82 2.60 2.985(4) 110.2 .
O1W H1WA O1 0.82 1.87 2.675(3) 165.6 .
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_4
O2 Co1 N2 C1 -89.53(18) . .
O2 Co1 N2 C1 90.47(18) 2 .
O1W Co1 N2 C1 1.27(17) . .
O1W Co1 N2 C1 -178.73(17) 2 .
N1 Co1 N2 C1 160(100) 1_565 .
O2 Co1 N2 C1 90.47(18) . 2
O2 Co1 N2 C1 -89.53(18) 2 2
O1W Co1 N2 C1 -178.73(17) . 2
O1W Co1 N2 C1 1.27(17) 2 2
N1 Co1 N2 C1 -20(100) 1_565 2
O2 Co1 O2 C7 85.7(3) 2 .
O1W Co1 O2 C7 -4.1(3) . .
O1W Co1 O2 C7 175.6(3) 2 .
N1 Co1 O2 C7 -94.3(3) 1_565 .
N2 Co1 O2 C7 85.7(3) . .
C1 N2 C1 C2 -1.0(2) 2 .
Co1 N2 C1 C2 179.0(2) . .
N2 C1 C2 C3 2.0(5) . .
C1 C2 C3 C2 -0.9(2) . 2
C1 C2 C3 C4 179.1(2) . .
C2 C3 C4 C5 -130.2(2) 2 2
C2 C3 C4 C5 49.8(2) . 2
C2 C3 C4 C5 49.8(2) 2 .
C2 C3 C4 C5 -130.2(2) . .
C5 C4 C5 C6 -0.4(2) 2 .
C3 C4 C5 C6 179.6(2) . .
C6 N1 C6 C5 -0.4(2) 2 .
Co1 N1 C6 C5 179.6(2) 1_545 .
C4 C5 C6 N1 0.8(5) . .
Co1 O2 C7 O1 10.4(5) . .
Co1 O2 C7 C8 -169.18(18) . .
O2 C7 C8 C9 96.9(3) . .
O1 C7 C8 C9 -82.7(4) . .
C7 C8 C9 C10 77.1(4) . .
C7 C8 C9 C14 -45.4(4) . .
C7 C8 C9 C15 -164.3(3) . .
C10 C9 C14 C13 59.1(4) . .
C8 C9 C14 C13 -177.0(3) . .
C15 C9 C14 C13 -59.0(4) . .
C9 C14 C13 C12 -60.7(4) . .
C9 C14 C13 C16 59.7(4) . .
C12 C13 C16 C17 60.7(4) . .
C14 C13 C16 C17 -59.7(4) . .
C13 C16 C17 C18 -59.1(4) . .
C13 C16 C17 C15 57.8(4) . .
C13 C16 C17 C19 179.8(3) . .
C18 C17 C15 C9 58.7(3) . .
C16 C17 C15 C9 -58.4(4) . .
C19 C17 C15 C9 -178.0(3) . .
C10 C9 C15 C17 -59.0(3) . .
C14 C9 C15 C17 59.5(3) . .
C8 C9 C15 C17 -179.8(3) . .
C14 C9 C10 C11 -59.0(4) . .
C8 C9 C10 C11 177.1(3) . .
C15 C9 C10 C11 59.2(4) . .
C9 C10 C11 C12 60.5(4) . .
C9 C10 C11 C18 -61.4(4) . .
C16 C17 C18 C11 57.7(4) . .
C15 C17 C18 C11 -59.2(4) . .
C19 C17 C18 C11 177.0(3) . .
C12 C11 C18 C17 -59.2(4) . .
C10 C11 C18 C17 61.3(4) . .
C14 C13 C12 C11 61.5(4) . .
C16 C13 C12 C11 -59.0(4) . .
C18 C11 C12 C13 59.4(4) . .
C10 C11 C12 C13 -61.2(4) . .
C18 C17 C19 C20 52.9(4) . .
C16 C17 C19 C20 172.2(3) . .
C15 C17 C19 C20 -68.4(4) . .
C17 C19 C20 O4 -102.3(4) . .
C17 C19 C20 O3 76.2(4) . .
