#------------------------------------------------------------------------------
#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/20/8102084.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_8102084
loop_
_publ_author_name
'Zonouzi, A.'
'Rahmani, H.'
'Samareh Afsari, H.'
'Saranjampour, P.'
_publ_section_title
;
Crystal structure of dimethyl 7-(cyclohexylamino)2,3,4,5-tetrahydro-
1,3-dimethyl-2,4-dioxo-1H-pyrano[2,3-d]-pyrimidine-5,6-dicarboxylate, 
C₁₉H₂₅N₃O₇
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              559
_journal_page_last               560
_journal_volume                  221
_journal_year                    2006
_chemical_formula_moiety         'C19 H25 N3 O7'
_chemical_formula_sum            'C19 H25 N3 O7'
_chemical_formula_weight         407.42
_chemical_name_systematic
; 
dimethyl 7-(cyclohexylamino)2,3,4,5-tetrahydro-1,3-dimethyl-2,4-dioxo-
1H-pyrano[2,3-d]pyrimidine-5,6-dicarboxylate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.574(3)
_cell_angle_beta                 102.575(3)
_cell_angle_gamma                102.419(3)
_cell_formula_units_Z            2
_cell_length_a                   9.3040(10)
_cell_length_b                   10.8443(12)
_cell_length_c                   11.0327(13)
_cell_measurement_reflns_used    1884
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      51.75
_cell_measurement_theta_min      4.57
_cell_volume                     972.16(19)
_computing_cell_refinement       'SAINTPlus (Bruker, 1998a)'
_computing_data_collection       'SMART (Bruker, 1998b)'
_computing_data_reduction        'SAINTPlus (Bruker, 1998a)'
_computing_molecular_graphics    'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_publication_material  'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_structure_refinement  'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_structure_solution    'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       phi/omega
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0288
_diffrn_reflns_av_sigmaI/netI    0.0533
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7743
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.06
_exptl_absorpt_coefficient_mu    0.107
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.392
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             432
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.303
_refine_diff_density_min         -0.255
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     266
_refine_ls_number_reflns         3762
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0839
_refine_ls_R_factor_gt           0.0513
_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)+(0.0070P)²+0.9500P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0904
_refine_ls_wR_factor_ref         0.1008
_reflns_number_gt                2250
_reflns_number_total             3762
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1933.cff
_cod_data_source_block           zon7
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_database_code               8102084
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.82338(18) 0.04083(15) 0.44581(16) 0.0270(4) Uani 1 2 i d . . .
O2 O 0.8417(2) 0.20381(17) 0.88786(17) 0.0373(5) Uani 1 2 i d . . .
O3 O 0.4505(2) -0.18937(16) 0.59362(17) 0.0330(4) Uani 1 2 i d . . .
O4 O 0.7647(2) -0.31403(18) 0.4174(2) 0.0452(5) Uani 1 2 i d . . .
O5 O 0.5175(2) -0.44102(16) 0.3436(2) 0.0413(5) Uani 1 2 i d . . .
O6 O 0.5882(2) -0.22079(16) 0.03242(17) 0.0354(4) Uani 1 2 i d . . .
O7 O 0.4291(2) -0.35013(16) 0.10370(16) 0.0336(4) Uani 1 2 i d . . .
N1 N 0.8213(2) 0.12527(19) 0.66341(19) 0.0261(5) Uani 1 2 i d . . .
N2 N 0.6498(2) 0.00333(19) 0.74241(19) 0.0256(5) Uani 1 2 i d . . .
N3 N 0.8161(2) 0.00025(19) 0.2314(2) 0.0288(5) Uani 1 2 i d . . .
H3N H 0.7683 -0.0554 0.1433 0.035 Uiso 1 2 i d R . .
C1 C 0.7535(3) 0.0204(2) 0.5373(2) 0.0230(5) Uani 1 2 i d . . .
C2 C 0.7749(3) 0.1166(2) 0.7732(2) 0.0268(6) Uani 1 2 i d . . .
C3 C 0.5683(3) -0.0978(2) 0.6127(2) 0.0259(5) Uani 1 2 i d . . .
C4 C 0.6327(3) -0.0891(2) 0.5076(2) 0.0225(5) Uani 1 2 i d . . .
C5 C 0.5707(3) -0.2062(2) 0.3708(2) 0.0240(5) Uani 1 2 i d . . .
H5A H 0.4548 -0.2377 0.3415 0.029 Uiso 1 2 i calc R . .
C6 C 0.6254(3) -0.1604(2) 0.2691(2) 0.0238(5) Uani 1 2 i d . . .
C7 C 0.7496(3) -0.0447(2) 0.3109(2) 0.0253(5) Uani 1 2 i d . . .
C8 C 0.9360(3) 0.1335(2) 0.2738(2) 0.0262(5) Uani 1 2 i d . . .
H8A H 1.0130 0.1533 0.3622 0.031 Uiso 1 2 i calc R . .
C9 C 0.8676(3) 0.2521(2) 0.2908(2) 0.0285(6) Uani 1 2 i d . . .
H9A H 0.8174 0.2618 0.3625 0.034 Uiso 1 2 i calc R . .
H9B H 0.7874 0.2315 0.2051 0.034 Uiso 1 2 i calc R . .
C10 C 0.9943(3) 0.3874(2) 0.3290(3) 0.0320(6) Uani 1 2 i d . . .
H10A H 1.0682 0.4128 0.4195 0.038 Uiso 1 2 i calc R . .
H10B H 0.9467 0.4616 0.3346 0.038 Uiso 1 2 i calc R . .
C11 C 1.0823(3) 0.3757(3) 0.2256(3) 0.0342(6) Uani 1 2 i d . . .
H11A H 1.0119 0.3631 0.1380 0.041 Uiso 1 2 i calc R . .
H11B H 1.1691 0.4618 0.2577 0.041 Uiso 1 2 i calc R . .
C12 C 1.1453(3) 0.2545(3) 0.2055(3) 0.0361(6) Uani 1 2 i d . . .
H12A H 1.2259 0.2731 0.2903 0.043 Uiso 1 2 i calc R . .
H12B H 1.1944 0.2443 0.1332 0.043 Uiso 1 2 i calc R . .
C13 C 1.0179(3) 0.1206(2) 0.1673(2) 0.0296(6) Uani 1 2 i d . . .
H13A H 0.9417 0.0976 0.0786 0.036 Uiso 1 2 i calc R . .
H13B H 1.0636 0.0449 0.1582 0.036 Uiso 1 2 i calc R . .
C14 C 0.9458(3) 0.2494(2) 0.6887(3) 0.0416(7) Uani 1 2 i d . . .
H14A H 0.9178 0.2821 0.6169 0.062 Uiso 1 2 i calc R . .
H14B H 1.0426 0.2271 0.6896 0.062 Uiso 1 2 i calc R . .
H14C H 0.9600 0.3216 0.7765 0.062 Uiso 1 2 i calc R . .
C15 C 0.6003(3) -0.0128(3) 0.8558(2) 0.0325(6) Uani 1 2 i d . . .
H15A H 0.6421 0.0756 0.9346 0.049 Uiso 1 2 i calc R . .
H15B H 0.6391 -0.0818 0.8790 0.049 Uiso 1 2 i calc R . .
H15C H 0.4868 -0.0430 0.8291 0.049 Uiso 1 2 i calc R . .
C16 C 0.6302(3) -0.3251(2) 0.3808(2) 0.0242(5) Uani 1 2 i d . . .
C17 C 0.5666(3) -0.5575(2) 0.3517(3) 0.0481(8) Uani 1 2 i d . . .
H17A H 0.4780 -0.6421 0.3041 0.072 Uiso 1 2 i calc R . .
H17B H 0.6064 -0.5428 0.4470 0.072 Uiso 1 2 i calc R . .
H17C H 0.6484 -0.5660 0.3095 0.072 Uiso 1 2 i calc R . .
C18 C 0.5511(3) -0.2421(2) 0.1262(2) 0.0278(6) Uani 1 2 i d . . .
C19 C 0.3378(3) -0.4346(3) -0.0354(3) 0.0426(7) Uani 1 2 i d . . .
H19A H 0.2631 -0.5163 -0.0402 0.064 Uiso 1 2 i calc R . .
H19B H 0.4061 -0.4631 -0.0880 0.064 Uiso 1 2 i calc R . .
H19C H 0.2821 -0.3817 -0.0728 0.064 Uiso 1 2 i calc R . .
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'
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
C1 O1 C7 117.49(18) . . ?
C16 O5 C17 115.7(2) . . ?
C18 O7 C19 116.73(19) . . ?
C1 N1 C2 120.5(2) . . ?
C1 N1 C14 121.7(2) . . ?
C2 N1 C14 117.7(2) . . ?
C2 N2 C3 125.1(2) . . ?
C2 N2 C15 117.4(2) . . ?
C3 N2 C15 117.5(2) . . ?
C7 N3 C8 126.6(2) . . ?
C7 N3 H3N 111.3 . . ?
C8 N3 H3N 121.5 . . ?
C4 C1 O1 124.1(2) . . ?
C4 C1 N1 123.7(2) . . ?
O1 C1 N1 112.27(19) . . ?
O2 C2 N2 123.1(2) . . ?
O2 C2 N1 121.4(2) . . ?
N2 C2 N1 115.5(2) . . ?
O3 C3 N2 120.4(2) . . ?
O3 C3 C4 123.7(2) . . ?
N2 C3 C4 115.8(2) . . ?
C1 C4 C3 118.7(2) . . ?
C1 C4 C5 121.4(2) . . ?
C3 C4 C5 119.7(2) . . ?
C4 C5 C6 109.96(18) . . ?
C4 C5 C16 108.59(18) . . ?
C6 C5 C16 109.67(19) . . ?
C4 C5 H5A 109.5 . . ?
C6 C5 H5A 109.5 . . ?
C16 C5 H5A 109.5 . . ?
C7 C6 C18 119.3(2) . . ?
C7 C6 C5 120.8(2) . . ?
C18 C6 C5 119.9(2) . . ?
N3 C7 C6 126.4(2) . . ?
N3 C7 O1 111.1(2) . . ?
C6 C7 O1 122.5(2) . . ?
N3 C8 C13 108.06(19) . . ?
N3 C8 C9 112.21(19) . . ?
C13 C8 C9 109.99(18) . . ?
N3 C8 H8A 108.8 . . ?
C13 C8 H8A 108.8 . . ?
C9 C8 H8A 108.8 . . ?
C8 C9 C10 110.7(2) . . ?
C8 C9 H9A 109.5 . . ?
C10 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C10 C9 H9B 109.5 . . ?
H9A C9 H9B 108.1 . . ?
C9 C10 C11 111.8(2) . . ?
C9 C10 H10A 109.3 . . ?
C11 C10 H10A 109.3 . . ?
C9 C10 H10B 109.3 . . ?
C11 C10 H10B 109.3 . . ?
H10A C10 H10B 107.9 . . ?
C12 C11 C10 110.6(2) . . ?
C12 C11 H11A 109.5 . . ?
C10 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 108.1 . . ?
C11 C12 C13 111.7(2) . . ?
C11 C12 H12A 109.3 . . ?
C13 C12 H12A 109.3 . . ?
C11 C12 H12B 109.3 . . ?
C13 C12 H12B 109.3 . . ?
H12A C12 H12B 107.9 . . ?
C8 C13 C12 111.0(2) . . ?
C8 C13 H13A 109.4 . . ?
C12 C13 H13A 109.4 . . ?
C8 C13 H13B 109.4 . . ?
C12 C13 H13B 109.4 . . ?
H13A C13 H13B 108.0 . . ?
N1 C14 H14A 109.5 . . ?
N1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N2 C15 H15A 109.5 . . ?
N2 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
N2 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O4 C16 O5 123.6(2) . . ?
O4 C16 C5 123.3(2) . . ?
O5 C16 C5 113.1(2) . . ?
O5 C17 H17A 109.5 . . ?
O5 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
O5 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O6 C18 O7 122.0(2) . . ?
O6 C18 C6 126.8(2) . . ?
O7 C18 C6 111.2(2) . . ?
O7 C19 H19A 109.5 . . ?
O7 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
O7 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
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 C1 1.365(3) . ?
O1 C7 1.380(3) . ?
O2 C2 1.218(3) . ?
O3 C3 1.234(3) . ?
O4 C16 1.194(3) . ?
O5 C16 1.323(3) . ?
O5 C17 1.456(3) . ?
O6 C18 1.235(3) . ?
O7 C18 1.353(3) . ?
O7 C19 1.439(3) . ?
N1 C1 1.370(3) . ?
N1 C2 1.396(3) . ?
N1 C14 1.473(3) . ?
N2 C2 1.383(3) . ?
N2 C3 1.394(3) . ?
N2 C15 1.473(3) . ?
N3 C7 1.335(3) . ?
N3 C8 1.475(3) . ?
N3 H3N 0.9000 . ?
C1 C4 1.337(3) . ?
C3 C4 1.436(3) . ?
C4 C5 1.498(3) . ?
C5 C6 1.509(3) . ?
C5 C16 1.535(3) . ?
C5 H5A 1.0000 . ?
C6 C7 1.370(3) . ?
C6 C18 1.440(3) . ?
C8 C13 1.519(3) . ?
C8 C9 1.529(3) . ?
C8 H8A 1.0000 . ?
C9 C10 1.531(3) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.530(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.521(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.524(3) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N3 H3N O6 1_555 0.90 1.97 2.706(3) 138 ?
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
C7 O1 C1 C4 10.9(3) . . . . ?
C7 O1 C1 N1 -168.99(18) . . . . ?
C2 N1 C1 C4 6.0(3) . . . . ?
C14 N1 C1 C4 -174.8(2) . . . . ?
C2 N1 C1 O1 -174.15(19) . . . . ?
C14 N1 C1 O1 5.1(3) . . . . ?
C3 N2 C2 O2 178.9(2) . . . . ?
C15 N2 C2 O2 -2.0(3) . . . . ?
C3 N2 C2 N1 -1.2(3) . . . . ?
C15 N2 C2 N1 177.84(19) . . . . ?
C1 N1 C2 O2 174.3(2) . . . . ?
C14 N1 C2 O2 -4.9(3) . . . . ?
C1 N1 C2 N2 -5.5(3) . . . . ?
C14 N1 C2 N2 175.2(2) . . . . ?
C2 N2 C3 O3 -174.2(2) . . . . ?
C15 N2 C3 O3 6.7(3) . . . . ?
C2 N2 C3 C4 7.3(3) . . . . ?
C15 N2 C3 C4 -171.7(2) . . . . ?
O1 C1 C4 C3 -179.3(2) . . . . ?
N1 C1 C4 C3 0.6(3) . . . . ?
O1 C1 C4 C5 4.9(4) . . . . ?
N1 C1 C4 C5 -175.2(2) . . . . ?
O3 C3 C4 C1 174.7(2) . . . . ?
N2 C3 C4 C1 -6.8(3) . . . . ?
O3 C3 C4 C5 -9.4(3) . . . . ?
N2 C3 C4 C5 169.1(2) . . . . ?
C1 C4 C5 C6 -18.5(3) . . . . ?
C3 C4 C5 C6 165.7(2) . . . . ?
C1 C4 C5 C16 101.5(2) . . . . ?
C3 C4 C5 C16 -74.3(3) . . . . ?
C4 C5 C6 C7 18.4(3) . . . . ?
C16 C5 C6 C7 -101.0(3) . . . . ?
C4 C5 C6 C18 -164.4(2) . . . . ?
C16 C5 C6 C18 76.2(3) . . . . ?
C8 N3 C7 C6 171.4(2) . . . . ?
C8 N3 C7 O1 -9.2(3) . . . . ?
C18 C6 C7 N3 -2.7(4) . . . . ?
C5 C6 C7 N3 174.5(2) . . . . ?
C18 C6 C7 O1 177.9(2) . . . . ?
C5 C6 C7 O1 -4.9(3) . . . . ?
C1 O1 C7 N3 169.80(19) . . . . ?
C1 O1 C7 C6 -10.7(3) . . . . ?
C7 N3 C8 C13 159.8(2) . . . . ?
C7 N3 C8 C9 -78.8(3) . . . . ?
N3 C8 C9 C10 -177.6(2) . . . . ?
C13 C8 C9 C10 -57.3(3) . . . . ?
C8 C9 C10 C11 55.9(3) . . . . ?
C9 C10 C11 C12 -54.1(3) . . . . ?
C10 C11 C12 C13 54.5(3) . . . . ?
N3 C8 C13 C12 -179.2(2) . . . . ?
C9 C8 C13 C12 58.0(3) . . . . ?
C11 C12 C13 C8 -57.1(3) . . . . ?
C17 O5 C16 O4 1.0(4) . . . . ?
C17 O5 C16 C5 -179.6(2) . . . . ?
C4 C5 C16 O4 -58.3(3) . . . . ?
C6 C5 C16 O4 61.9(3) . . . . ?
C4 C5 C16 O5 122.3(2) . . . . ?
C6 C5 C16 O5 -117.5(2) . . . . ?
C19 O7 C18 O6 -3.9(3) . . . . ?
C19 O7 C18 C6 175.7(2) . . . . ?
C7 C6 C18 O6 0.9(4) . . . . ?
C5 C6 C18 O6 -176.3(2) . . . . ?
C7 C6 C18 O7 -178.6(2) . . . . ?
C5 C6 C18 O7 4.1(3) . . . . ?
