#------------------------------------------------------------------------------
#$Date: 2016-03-26 15:07:28 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180288 $
#$URL: svn://www.crystallography.net/cod/cif/7/15/02/7150297.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_7150297
loop_
_publ_author_name
'Ley, Steven V.'
'Dixon, Darren J.'
'Guy, Richard T.'
'Rodríguez, Félix'
'Sheppard, Tom D.'
_publ_section_title
;
 Michael, Michael-aldol and Michael-Michael reactions of enolate
 equivalents of butane-2,3-diacetal protected glycolic acid
 derivatives.
;
_journal_issue                   22
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              4095
_journal_page_last               4107
_journal_paper_doi               10.1039/b512410g
_journal_volume                  3
_journal_year                    2005
_chemical_formula_sum            'C22 H30 Cl2 O9'
_chemical_formula_weight         509.36
_chemical_name_systematic
; 
? 
;
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.070(2)
_cell_angle_beta                 101.138(3)
_cell_angle_gamma                95.648(3)
_cell_formula_units_Z            2
_cell_length_a                   6.6987(3)
_cell_length_b                   13.8444(7)
_cell_length_c                   14.0583(7)
_cell_measurement_reflns_used    6249
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     1219.91(10)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius B.V. 1998)'
_computing_data_reduction
;
HKL Denzo and Scalepack (Otwinowski & Minor 1997)
;
_computing_publication_material  'SHELXL-97 (Sheldrick 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'Thin slice ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_av_sigmaI/netI    0.0643
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11124
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         3.54
_exptl_absorpt_coefficient_mu    0.315
_exptl_absorpt_correction_T_max  1.024
_exptl_absorpt_correction_T_min  0.979
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav Blessing (1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.387
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.701
_refine_diff_density_min         -0.620
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       0.028(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   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     302
_refine_ls_number_reflns         5545
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0878
_refine_ls_R_factor_gt           0.0522
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0522P)²+0.5123P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1191
_refine_ls_wR_factor_ref         0.1345
_reflns_number_gt                3742
_reflns_number_total             5545
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b512410g.txt
_cod_data_source_block           sl0027
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'multiscan' changed to 'multi-scan'
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 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7150297
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O -0.2965(2) 0.17725(13) 0.79406(12) 0.0359(4) Uani 1 1 d . . .
O2 O -0.2478(2) 0.20947(11) 0.65482(11) 0.0279(3) Uani 1 1 d . . .
O3 O 0.1444(2) 0.15534(10) 0.68455(10) 0.0228(3) Uani 1 1 d . . .
O4 O 0.1380(2) 0.32699(11) 0.70282(11) 0.0288(4) Uani 1 1 d . . .
O5 O -0.1553(2) 0.11262(12) 0.51369(11) 0.0321(4) Uani 1 1 d . . .
O6 O 0.5044(2) -0.06961(12) 0.81700(11) 0.0332(4) Uani 1 1 d . . .
O7 O 0.1812(2) -0.13570(11) 0.75626(12) 0.0351(4) Uani 1 1 d . . .
O8 O 0.2215(2) 0.01696(11) 0.98532(11) 0.0285(3) Uani 1 1 d D . .
H8 H 0.276(3) 0.0262(18) 1.0439(13) 0.034 Uiso 1 1 d D . .
O9 O 0.2549(2) 0.49964(11) 1.09407(13) 0.0378(4) Uani 1 1 d . . .
C1 C -0.1816(3) 0.18096(15) 0.73806(15) 0.0239(4) Uani 1 1 d . . .
C2 C 0.0387(3) 0.16062(15) 0.76422(15) 0.0219(4) Uani 1 1 d . . .
H2 H 0.1163 0.2175 0.8238 0.026 Uiso 1 1 calc R . .
C3 C 0.1073(3) 0.23010(16) 0.63341(15) 0.0243(4) Uani 1 1 d . . .
C4 C -0.1220(3) 0.21011(16) 0.58017(15) 0.0258(5) Uani 1 1 d . . .
C5 C 0.2467(3) 0.21979(18) 0.55987(17) 0.0311(5) Uani 1 1 d . . .
H5A H 0.2168 0.1507 0.5142 0.047 Uiso 1 1 calc R . .
H5B H 0.3908 0.2339 0.5974 0.047 Uiso 1 1 calc R . .
H5C H 0.2230 0.2681 0.5204 0.047 Uiso 1 1 calc R . .
C6 C -0.1888(4) 0.2909(2) 0.53235(19) 0.0379(6) Uani 1 1 d . . .
H6A H -0.1598 0.3566 0.5842 0.057 Uiso 1 1 calc R . .
H6B H -0.3369 0.2743 0.5019 0.057 Uiso 1 1 calc R . .
H6C H -0.1131 0.2944 0.4799 0.057 Uiso 1 1 calc R . .
C7 C 0.3478(3) 0.36701(18) 0.75619(19) 0.0377(6) Uani 1 1 d . . .
H7A H 0.3535 0.4344 0.8023 0.057 Uiso 1 1 calc R . .
H7B H 0.4323 0.3721 0.7075 0.057 Uiso 1 1 calc R . .
H7C H 0.4004 0.3218 0.7950 0.057 Uiso 1 1 calc R . .
C8 C -0.3527(3) 0.0793(2) 0.44500(18) 0.0399(6) Uani 1 1 d . . .
H8A H -0.3580 0.0103 0.4025 0.060 Uiso 1 1 calc R . .
H8B H -0.3748 0.1247 0.4021 0.060 Uiso 1 1 calc R . .
H8C H -0.4604 0.0802 0.4834 0.060 Uiso 1 1 calc R . .
C9 C 0.0454(3) 0.06295(15) 0.79434(15) 0.0222(4) Uani 1 1 d . . .
H9 H -0.0265 0.0682 0.8511 0.027 Uiso 1 1 calc R . .
C10 C 0.2719(3) 0.05131(15) 0.83463(15) 0.0214(4) Uani 1 1 d . . .
H10 H 0.3614 0.0959 0.8088 0.026 Uiso 1 1 calc R . .
C11 C 0.3271(3) -0.05478(16) 0.80284(15) 0.0272(5) Uani 1 1 d . . .
C12 C -0.0669(3) -0.02974(16) 0.70825(16) 0.0276(5) Uani 1 1 d . . .
H12A H -0.2158 -0.0258 0.6917 0.033 Uiso 1 1 calc R . .
H12B H -0.0128 -0.0319 0.6471 0.033 Uiso 1 1 calc R . .
C13 C -0.0356(3) -0.12347(17) 0.73983(18) 0.0345(5) Uani 1 1 d . . .
H13A H -0.0832 -0.1193 0.8030 0.041 Uiso 1 1 calc R . .
H13B H -0.1187 -0.1833 0.6867 0.041 Uiso 1 1 calc R . .
C14 C 0.3393(3) 0.08664(15) 0.95139(15) 0.0235(4) Uani 1 1 d . . .
H14 H 0.4882 0.0810 0.9717 0.028 Uiso 1 1 calc R . .
C15 C 0.3121(3) 0.19530(15) 0.99432(14) 0.0219(4) Uani 1 1 d . . .
C16 C 0.4592(3) 0.27295(16) 0.99244(15) 0.0261(5) Uani 1 1 d . . .
H16 H 0.5775 0.2566 0.9675 0.031 Uiso 1 1 calc R . .
C17 C 0.4359(3) 0.37291(16) 1.02605(16) 0.0287(5) Uani 1 1 d . . .
H17 H 0.5371 0.4248 1.0237 0.034 Uiso 1 1 calc R . .
C18 C 0.2632(3) 0.39835(16) 1.06377(16) 0.0274(5) Uani 1 1 d . . .
C19 C 0.1176(3) 0.32215(16) 1.06808(16) 0.0276(5) Uani 1 1 d . . .
H19 H 0.0015 0.3385 1.0949 0.033 Uiso 1 1 calc R . .
C20 C 0.1429(3) 0.22161(16) 1.03281(15) 0.0252(5) Uani 1 1 d . . .
H20 H 0.0418 0.1696 1.0351 0.030 Uiso 1 1 calc R . .
C21 C 0.0953(4) 0.53084(19) 1.1437(2) 0.0463(7) Uani 1 1 d . . .
H21A H 0.1068 0.6048 1.1615 0.069 Uiso 1 1 calc R . .
H21B H 0.1088 0.5091 1.2053 0.069 Uiso 1 1 calc R . .
H21C H -0.0391 0.5001 1.0984 0.069 Uiso 1 1 calc R . .
Cl1 Cl 0.58056(14) 0.60469(7) 0.63873(7) 0.0745(3) Uani 1 1 d . . .
Cl2 Cl 0.18255(14) 0.60123(7) 0.69321(8) 0.0823(3) Uani 1 1 d . . .
C22 C 0.4341(4) 0.6639(2) 0.7201(2) 0.0522(7) Uani 1 1 d . . .
H22A H 0.5021 0.6681 0.7905 0.063 Uiso 1 1 calc R . .
H22B H 0.4305 0.7339 0.7157 0.063 Uiso 1 1 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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 O2 C4 121.79(15) . . ?
C3 O3 C2 113.62(15) . . ?
C3 O4 C7 115.49(16) . . ?
C4 O5 C8 116.85(18) . . ?
C11 O7 C13 119.78(17) . . ?
C14 O8 H8 105.6(17) . . ?
C18 O9 C21 117.67(17) . . ?
O1 C1 O2 118.59(18) . . ?
O1 C1 C2 121.18(19) . . ?
O2 C1 C2 120.11(16) . . ?
O3 C2 C9 108.34(15) . . ?
O3 C2 C1 113.83(16) . . ?
C9 C2 C1 111.20(16) . . ?
O3 C2 H2 107.7 . . ?
C9 C2 H2 107.7 . . ?
C1 C2 H2 107.7 . . ?
O4 C3 O3 110.83(16) . . ?
O4 C3 C5 114.03(17) . . ?
O3 C3 C5 106.12(16) . . ?
O4 C3 C4 104.99(16) . . ?
O3 C3 C4 108.25(16) . . ?
C5 C3 C4 112.57(17) . . ?
O5 C4 O2 108.01(15) . . ?
O5 C4 C6 115.01(18) . . ?
O2 C4 C6 104.93(16) . . ?
O5 C4 C3 105.31(16) . . ?
O2 C4 C3 109.42(16) . . ?
C6 C4 C3 114.01(18) . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O4 C7 H7A 109.5 . . ?
O4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
O4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O5 C8 H8A 109.5 . . ?
O5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
O5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C2 C9 C12 112.35(17) . . ?
C2 C9 C10 110.24(15) . . ?
C12 C9 C10 111.43(16) . . ?
C2 C9 H9 107.5 . . ?
C12 C9 H9 107.5 . . ?
C10 C9 H9 107.5 . . ?
C11 C10 C14 105.56(16) . . ?
C11 C10 C9 116.54(16) . . ?
C14 C10 C9 112.97(15) . . ?
C11 C10 H10 107.1 . . ?
C14 C10 H10 107.1 . . ?
C9 C10 H10 107.1 . . ?
O6 C11 O7 117.1(2) . . ?
O6 C11 C10 121.70(19) . . ?
O7 C11 C10 121.22(18) . . ?
C13 C12 C9 109.26(18) . . ?
C13 C12 H12A 109.8 . . ?
C9 C12 H12A 109.8 . . ?
C13 C12 H12B 109.8 . . ?
C9 C12 H12B 109.8 . . ?
H12A C12 H12B 108.3 . . ?
O7 C13 C12 110.91(17) . . ?
O7 C13 H13A 109.5 . . ?
C12 C13 H13A 109.5 . . ?
O7 C13 H13B 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 108.0 . . ?
O8 C14 C15 113.22(16) . . ?
O8 C14 C10 105.73(15) . . ?
C15 C14 C10 111.92(16) . . ?
O8 C14 H14 108.6 . . ?
C15 C14 H14 108.6 . . ?
C10 C14 H14 108.6 . . ?
C20 C15 C16 118.14(19) . . ?
C20 C15 C14 122.84(17) . . ?
C16 C15 C14 118.98(17) . . ?
C17 C16 C15 121.07(18) . . ?
C17 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C16 C17 C18 120.18(19) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
O9 C18 C19 125.34(19) . . ?
O9 C18 C17 115.18(18) . . ?
C19 C18 C17 119.48(19) . . ?
C18 C19 C20 119.48(19) . . ?
C18 C19 H19 120.3 . . ?
C20 C19 H19 120.3 . . ?
C15 C20 C19 121.63(19) . . ?
C15 C20 H20 119.2 . . ?
C19 C20 H20 119.2 . . ?
O9 C21 H21A 109.5 . . ?
O9 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
O9 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Cl2 C22 Cl1 113.25(16) . . ?
Cl2 C22 H22A 108.9 . . ?
Cl1 C22 H22A 108.9 . . ?
Cl2 C22 H22B 108.9 . . ?
Cl1 C22 H22B 108.9 . . ?
H22A C22 H22B 107.7 . . ?
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 1.209(2) . ?
O2 C1 1.340(2) . ?
O2 C4 1.469(2) . ?
O3 C3 1.421(2) . ?
O3 C2 1.427(2) . ?
O4 C3 1.408(2) . ?
O4 C7 1.438(3) . ?
O5 C4 1.396(3) . ?
O5 C8 1.431(3) . ?
O6 C11 1.213(3) . ?
O7 C11 1.340(3) . ?
O7 C13 1.459(3) . ?
O8 C14 1.420(2) . ?
O8 H8 0.805(16) . ?
O9 C18 1.366(3) . ?
O9 C21 1.428(3) . ?
C1 C2 1.523(3) . ?
C2 C9 1.521(3) . ?
C2 H2 1.0000 . ?
C3 C5 1.512(3) . ?
C3 C4 1.536(3) . ?
C4 C6 1.509(3) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C12 1.526(3) . ?
C9 C10 1.553(3) . ?
C9 H9 1.0000 . ?
C10 C11 1.524(3) . ?
C10 C14 1.546(3) . ?
C10 H10 1.0000 . ?
C12 C13 1.497(3) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.511(3) . ?
C14 H14 1.0000 . ?
C15 C20 1.388(3) . ?
C15 C16 1.394(3) . ?
C16 C17 1.376(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.401(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.386(3) . ?
C19 C20 1.390(3) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
Cl1 C22 1.746(3) . ?
Cl2 C22 1.741(3) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
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
C4 O2 C1 O1 -176.36(18) . . . . ?
C4 O2 C1 C2 7.6(3) . . . . ?
C3 O3 C2 C9 165.70(15) . . . . ?
C3 O3 C2 C1 41.4(2) . . . . ?
O1 C1 C2 O3 172.42(18) . . . . ?
O2 C1 C2 O3 -11.6(3) . . . . ?
O1 C1 C2 C9 49.7(3) . . . . ?
O2 C1 C2 C9 -134.35(18) . . . . ?
C7 O4 C3 O3 68.7(2) . . . . ?
C7 O4 C3 C5 -50.9(2) . . . . ?
C7 O4 C3 C4 -174.59(17) . . . . ?
C2 O3 C3 O4 50.1(2) . . . . ?
C2 O3 C3 C5 174.40(15) . . . . ?
C2 O3 C3 C4 -64.5(2) . . . . ?
C8 O5 C4 O2 70.6(2) . . . . ?
C8 O5 C4 C6 -46.2(2) . . . . ?
C8 O5 C4 C3 -172.60(17) . . . . ?
C1 O2 C4 O5 84.7(2) . . . . ?
C1 O2 C4 C6 -152.18(18) . . . . ?
C1 O2 C4 C3 -29.5(2) . . . . ?
O4 C3 C4 O5 -177.97(15) . . . . ?
O3 C3 C4 O5 -59.56(19) . . . . ?
C5 C3 C4 O5 57.4(2) . . . . ?
O4 C3 C4 O2 -62.1(2) . . . . ?
O3 C3 C4 O2 56.3(2) . . . . ?
C5 C3 C4 O2 173.30(17) . . . . ?
O4 C3 C4 C6 55.0(2) . . . . ?
O3 C3 C4 C6 173.44(17) . . . . ?
C5 C3 C4 C6 -69.6(2) . . . . ?
O3 C2 C9 C12 -63.0(2) . . . . ?
C1 C2 C9 C12 62.8(2) . . . . ?
O3 C2 C9 C10 61.91(19) . . . . ?
C1 C2 C9 C10 -172.28(15) . . . . ?
C2 C9 C10 C11 -139.96(17) . . . . ?
C12 C9 C10 C11 -14.5(2) . . . . ?
C2 C9 C10 C14 97.54(19) . . . . ?
C12 C9 C10 C14 -137.00(17) . . . . ?
C13 O7 C11 O6 178.06(19) . . . . ?
C13 O7 C11 C10 -3.1(3) . . . . ?
C14 C10 C11 O6 -65.1(2) . . . . ?
C9 C10 C11 O6 168.64(19) . . . . ?
C14 C10 C11 O7 116.1(2) . . . . ?
C9 C10 C11 O7 -10.2(3) . . . . ?
C2 C9 C12 C13 174.28(16) . . . . ?
C10 C9 C12 C13 50.0(2) . . . . ?
C11 O7 C13 C12 40.8(3) . . . . ?
C9 C12 C13 O7 -64.4(2) . . . . ?
C11 C10 C14 O8 -61.49(19) . . . . ?
C9 C10 C14 O8 67.0(2) . . . . ?
C11 C10 C14 C15 174.81(16) . . . . ?
C9 C10 C14 C15 -56.7(2) . . . . ?
O8 C14 C15 C20 -20.9(3) . . . . ?
C10 C14 C15 C20 98.5(2) . . . . ?
O8 C14 C15 C16 161.27(18) . . . . ?
C10 C14 C15 C16 -79.4(2) . . . . ?
C20 C15 C16 C17 -1.1(3) . . . . ?
C14 C15 C16 C17 176.76(19) . . . . ?
C15 C16 C17 C18 0.5(3) . . . . ?
C21 O9 C18 C19 6.8(3) . . . . ?
C21 O9 C18 C17 -173.0(2) . . . . ?
C16 C17 C18 O9 -179.4(2) . . . . ?
C16 C17 C18 C19 0.8(3) . . . . ?
O9 C18 C19 C20 178.8(2) . . . . ?
C17 C18 C19 C20 -1.4(3) . . . . ?
C16 C15 C20 C19 0.5(3) . . . . ?
C14 C15 C20 C19 -177.34(19) . . . . ?
C18 C19 C20 C15 0.8(3) . . . . ?
