##############################################################################
###                                                                        ###
###           Full Paper (Acta Crystallographica Section C)                ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section C. It conforms to the editorial and technical    #
# requirements of Notes for Authors for Section C, and has been peer         #
# reviewed under the auspices of the IUCr Commission on Journals.            #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.0.1.  #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
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data_global
_audit_creation_method     SHELXL
_journal_date_recd_electronic     98-04-16
_journal_date_accepted     98-10-21
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     1999
_journal_volume     C55
_journal_issue     APR99
_journal_page_first     630
_journal_page_last     632
_journal_paper_category     FO
_publ_contact_author_name     'Dr Rodolfo Moreno-Fuquen'
_publ_contact_author_address
;
     Departamento de Química. Facultad de Ciencias, Universidad
     del Valle, Apartado 25360, Santiago de Cali,
     Colombia.
;
_publ_contact_author_email     'romoreno@hypatia.univalle.edu.co'
_publ_contact_author_fax     '57 23 392440'
_publ_contact_author_phone     '57 23 393248'
_publ_section_title
;
(E)-Dimethyl 4-isopropyl-3-[tris(trimethylsilyl)silylmethylene]-1,1-
cyclohexanedicarboxylate
;
loop_
    _publ_author_name
    _publ_author_address
    'Moreno-Fuquen, Rodolfo'
;    Departamento de Química, Facultad de Ciencias, Universidad del Valle
     Apartado 25360, Santiago de Cali,
     Colombia
;
    'Jaramillo-Gómez, Luz Marina'
;   Departamento de Química, Facultad de Ciencias, Universidad del Valle
     Apartado 25360, Santiago de Cali,
     Colombia
;
    'Martín-Franco,  Jaime'
;    Departamento de Química, Facultad de Ciencias, Universidad del Valle
     Apartado 25360, Santiago de Cali,
     Colombia
;
_chemical_name_systematic
;
 ?
;
_chemical_name_common     ?
_chemical_formula_moiety     ?
_chemical_formula_sum     'C23 H48 O4 Si4'
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_weight     500.97
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/n'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    'x+1/2, -y+1/2, z+1/2'
    '-x, -y, -z'
    '-x-1/2, y-1/2, -z-1/2'
_cell_length_a     9.6682(9)
_cell_length_b     33.169(2)
_cell_length_c     9.9711(8)
_cell_angle_alpha     90.00
_cell_angle_beta     98.820(10)
_cell_angle_gamma     90.00
_cell_volume     3159.8(4)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     25
_cell_measurement_theta_min     9.89
_cell_measurement_theta_max     17.97
_cell_measurement_temperature     293(2)
_exptl_crystal_description     transparent_plates
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.24
_exptl_crystal_size_mid     0.20
_exptl_crystal_size_min     0.16
_exptl_crystal_density_diffrn     1.053
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not_measured'
_exptl_crystal_F_000     1096
_exptl_absorpt_coefficient_mu     0.211
_exptl_absorpt_correction_type     'none'
_exptl_absorpt_correction_T_min     ?
_exptl_absorpt_correction_T_max     ?
_diffrn_radiation_type     'MoK\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device     'Enraf-Nonius CAD-4'
_diffrn_measurement_method     ω/2θ
_diffrn_reflns_number     6781
_diffrn_reflns_av_R_equivalents     0.0167
_diffrn_reflns_av_sigmaI/netI     0.0380
_diffrn_reflns_theta_min     2.40
_diffrn_reflns_theta_max     26.30
_diffrn_reflns_limit_h_min     0
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -41
_diffrn_reflns_limit_k_max     0
_diffrn_reflns_limit_l_min     -12
_diffrn_reflns_limit_l_max     12
_diffrn_standards_number     3
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     120
_diffrn_standards_decay_%     1.35
loop_
    _diffrn_standard_refln_index_h
    _diffrn_standard_refln_index_k
    _diffrn_standard_refln_index_l
    3 12 2
    2 -12 3
    -3 6 4
_reflns_number_total     6402
_reflns_number_observed     4289
_reflns_observed_criterion     >2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.1005
_refine_ls_R_factor_obs     0.0534
_refine_ls_wR_factor_all     0.1799
_refine_ls_wR_factor_obs     0.1350
_refine_ls_goodness_of_fit_all     1.097
_refine_ls_goodness_of_fit_obs     1.015
_refine_ls_restrained_S_all     1.098
_refine_ls_restrained_S_obs     1.015
_refine_ls_number_reflns     6401
_refine_ls_number_parameters     281
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme
                '1/[\s^2^(Fo^2^)+(0.0682P)^2^+2.6905P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_shift/esd_max     0.001
_refine_ls_shift/esd_mean     0.000
_refine_diff_density_max     0.321
_refine_diff_density_min     -0.316
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'Si' 'Si' 0.0817 0.0704
                         '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'
    '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'
_computing_data_collection     'CAD-4 Software (Frenz, 1978)'
_computing_cell_refinement     'CAD-4 Software'
_computing_data_reduction     'VAXSDP (Frenz, 1978)'
_computing_structure_solution     'SHELXS86 (Sheldrick, 1985)'
_computing_structure_refinement     'SHELXL93 (Sheldrick, 1993)'
_computing_molecular_graphics     'ZORTEP (Zsolnai, 1995)'
_computing_publication_material     'VAXSDP'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_thermal_displace_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_group
    _atom_site_type_symbol
    Si1 0.79425(9) 0.14935(2) 0.95526(8) 0.0419(2) Uani d . 1 . Si
    Si2 0.70596(11) 0.10808(3) 0.76855(10) 0.0573(3) Uani d . 1 . Si
    Si3 0.92530(11) 0.20193(3) 0.87766(11) 0.0651(3) Uani d . 1 . Si
    Si4 0.61534(12) 0.17859(3) 1.05953(12) 0.0664(3) Uani d . 1 . Si
    O1 0.5533(2) 0.03326(9) 1.2370(2) 0.0690(7) Uani d . 1 . O
    O2 0.6699(3) 0.02188(12) 1.4401(3) 0.1060(13) Uani d . 1 . O
    O3 0.7878(4) 0.02339(8) 1.0217(2) 0.0840(9) Uani d . 1 . O
    O4 0.7942(3) -0.02628(7) 1.1702(2) 0.0591(6) Uani d . 1 . O
    C1 0.9319(3) 0.09994(8) 1.1847(3) 0.0392(6) Uani d . 1 . C
    C2 1.0632(3) 0.08787(9) 1.2808(3) 0.0447(7) Uani d . 1 . C
    H2 1.1435 0.09353 1.2346 0.076 Uiso calc R 1 . H
    C3 1.0617(3) 0.04231(9) 1.3072(3) 0.0467(7) Uani d . 1 . C
    H31 1.0674 0.02803 1.2233 0.076 Uiso calc R 1 . H
    H32 1.1431 0.03508 1.3722 0.076 Uiso calc R 1 . H
    C4 0.9303(3) 0.02929(9) 1.3614(3) 0.0448(7) Uani d . 1 . C
    H41 0.9257 0.04294 1.4466 0.076 Uiso calc R 1 . H
    H42 0.9341 0.00050 1.3786 0.076 Uiso calc R 1 . H
    C5 0.7983(3) 0.03920(9) 1.2599(3) 0.0389(6) Uani d . 1 . C
    C6 0.7959(3) 0.08413(9) 1.2206(3) 0.0432(7) Uani d . 1 . C
    H61 0.7228 0.08827 1.1436 0.076 Uiso calc R 1 . H
    H62 0.7716 0.09983 1.2957 0.076 Uiso calc R 1 . H
    C7 0.9358(3) 0.12409(8) 1.0782(3) 0.0407(6) Uani d . 1 . C
    H7 1.0259 0.12953 1.0613 0.076 Uiso calc R 1 . H
    C8 0.6680(3) 0.03028(10) 1.3250(3) 0.0482(7) Uani d . 1 . C
    C9 0.4216(4) 0.02821(15) 1.2884(5) 0.0845(14) Uani d . 1 . C
    H91 0.3478 0.0236 1.2140 0.076 Uiso calc R 1 . H
    H92 0.4017 0.0521 1.336 0.076 Uiso calc R 1 . H
    H93 0.4284 0.0056 1.349 0.076 Uiso calc R 1 . H
    C10 0.7921(3) 0.01235(9) 1.1351(3) 0.0456(7) Uani d . 1 . C
    C11 0.7917(5) -0.05551(12) 1.0633(4) 0.0787(12) Uani d . 1 . C
    H111 0.794 -0.08216 1.1011 0.076 Uiso calc R 1 . H
    H112 0.8716 -0.0516 1.0182 0.076 Uiso calc R 1 . H
    H113 0.7076 -0.0522 0.9992 0.076 Uiso calc R 1 . H
    C12 1.0812(4) 0.11369(10) 1.4128(3) 0.0559(8) Uani d . 1 . C
    H12 0.9959(4) 0.11080(10) 1.4538(3) 0.076 Uiso calc R 1 . H
    C13 1.2042(5) 0.10023(15) 1.5170(4) 0.0915(14) Uani d . 1 . C
    H131 1.1877 0.0734 1.5466 0.076 Uiso calc R 1 . H
    H132 1.2142 0.1182 1.5934 0.076 Uiso calc R 1 . H
    H133 1.2882 0.1006 1.4767 0.076 Uiso calc R 1 . H
    C14 1.0981(6) 0.15788(13) 1.3812(5) 0.096(2) Uani d . 1 . C
    H141 1.0179 0.1669 1.3197 0.076 Uiso calc R 1 . H
    H142 1.1809 0.1615 1.340 0.076 Uiso calc R 1 . H
    H143 1.106 0.17324 1.4636 0.076 Uiso calc R 1 . H
    C15 0.5458(4) 0.08058(14) 0.7979(5) 0.0912(14) Uani d . 1 . C
    H151 0.4737 0.09962 0.810 0.076 Uiso calc R 1 . H
    H152 0.5666 0.0643 0.8781 0.076 Uiso calc R 1 . H
    H153 0.5142 0.0636 0.7213 0.076 Uiso calc R 1 . H
    C16 0.8432(4) 0.07150(12) 0.7368(4) 0.0733(11) Uani d . 1 . C
    H161 0.9230 0.08588 0.715 0.076 Uiso calc R 1 . H
    H162 0.8068 0.0543 0.6623 0.076 Uiso calc R 1 . H
    H163 0.8706 0.0555 0.8166 0.076 Uiso calc R 1 . H
    C17 0.6556(7) 0.1389(2) 0.6122(5) 0.119(2) Uani d . 1 . C
    H171 0.7363 0.1530 0.5910 0.076 Uiso calc R 1 . H
    H172 0.5850 0.1581 0.6271 0.076 Uiso calc R 1 . H
    H173 0.620 0.1216 0.5379 0.076 Uiso calc R 1 . H
    C18 1.0697(6) 0.1793(2) 0.8004(7) 0.130(2) Uani d . 1 . C
    H181 1.0314 0.1627 0.7249 0.076 Uiso calc R 1 . H
    H182 1.1272 0.1631 0.8667 0.076 Uiso calc R 1 . H
    H183 1.1253 0.2003 0.770 0.076 Uiso calc R 1 . H
    C19 1.0072(8) 0.2327(2) 1.0197(6) 0.165(3) Uani d . 1 . C
    H191 1.064 0.2159 1.0845 0.076 Uiso calc R 1 . H
    H192 0.9360 0.2454 1.0622 0.076 Uiso calc R 1 . H
    H193 1.065 0.2530 0.9870 0.076 Uiso calc R 1 . H
    C20 0.8262(5) 0.2364(2) 0.7530(6) 0.117(2) Uani d . 1 . C
    H201 0.7483 0.2474 0.7901 0.076 Uiso calc R 1 . H
    H202 0.792 0.2218 0.6714 0.076 Uiso calc R 1 . H
    H203 0.8862 0.2579 0.733 0.076 Uiso calc R 1 . H
    C21 0.4792(5) 0.1445(2) 1.1054(6) 0.111(2) Uani d . 1 . C
    H211 0.5186 0.1278 1.1801 0.076 Uiso calc R 1 . H
    H212 0.4442 0.1279 1.0289 0.076 Uiso calc R 1 . H
    H213 0.4039 0.1602 1.131 0.076 Uiso calc R 1 . H
    C22 0.6940(7) 0.2024(2) 1.2218(6) 0.142(3) Uani d . 1 . C
    H221 0.752 0.1832 1.2758 0.076 Uiso calc R 1 . H
    H222 0.6210 0.2112 1.2703 0.076 Uiso calc R 1 . H
    H223 0.749 0.2252 1.2033 0.076 Uiso calc R 1 . H
    C23 0.5212(6) 0.2163(2) 0.9429(6) 0.129(2) Uani d . 1 . C
    H231 0.5828 0.2384 0.932 0.076 Uiso calc R 1 . H
    H232 0.4416 0.2261 0.9799 0.076 Uiso calc R 1 . H
    H233 0.490 0.2040 0.8563 0.076 Uiso calc R 1 . H
_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_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Si1 C7 . 1.888(3) yes
    Si1 Si3 . 2.3551(12) yes
    Si1 Si4 . 2.3590(13) yes
    Si1 Si2 . 2.3625(13) yes
    Si2 C15 . 1.859(4) ?
    Si2 C16 . 1.861(4) ?
    Si2 C17 . 1.866(4) ?
    Si3 C19 . 1.825(5) ?
    Si3 C20 . 1.845(4) ?
    Si3 C18 . 1.854(5) ?
    Si4 C21 . 1.845(5) ?
    Si4 C23 . 1.850(5) ?
    Si4 C22 . 1.856(6) ?
    O1 C8 . 1.308(4) ?
    O1 C9 . 1.453(4) ?
    O2 C8 . 1.179(4) ?
    O3 C10 . 1.183(4) ?
    O4 C10 . 1.327(4) ?
    O4 C11 . 1.438(4) ?
    C1 C7 . 1.335(4) yes
    C1 C6 . 1.509(4) ?
    C1 C2 . 1.522(4) ?
    C2 C3 . 1.535(4) ?
    C2 C12 . 1.558(4) yes
    C3 C4 . 1.518(4) ?
    C4 C5 . 1.538(4) ?
    C5 C10 . 1.524(4) ?
    C5 C8 . 1.532(4) ?
    C5 C6 . 1.540(4) ?
    C12 C14 . 1.513(5) ?
    C12 C13 . 1.521(5) ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C7 Si1 Si3 . . 99.73(10) ?
    C7 Si1 Si4 . . 113.82(10) ?
    Si3 Si1 Si4 . . 107.94(5) ?
    C7 Si1 Si2 . . 113.14(10) ?
    Si3 Si1 Si2 . . 108.53(5) ?
    Si4 Si1 Si2 . . 112.63(5) ?
    C15 Si2 C16 . . 109.9(2) ?
    C15 Si2 C17 . . 106.5(3) ?
    C16 Si2 C17 . . 108.5(2) ?
    C15 Si2 Si1 . . 111.7(2) ?
    C16 Si2 Si1 . . 109.33(13) ?
    C17 Si2 Si1 . . 110.9(2) ?
    C19 Si3 C20 . . 107.1(3) ?
    C19 Si3 C18 . . 106.5(4) ?
    C20 Si3 C18 . . 108.5(3) ?
    C19 Si3 Si1 . . 110.5(2) ?
    C20 Si3 Si1 . . 115.5(2) ?
    C18 Si3 Si1 . . 108.3(2) ?
    C21 Si4 C23 . . 105.6(3) ?
    C21 Si4 C22 . . 104.9(3) ?
    C23 Si4 C22 . . 110.9(3) ?
    C21 Si4 Si1 . . 117.2(2) ?
    C23 Si4 Si1 . . 108.9(2) ?
    C22 Si4 Si1 . . 109.2(2) ?
    C8 O1 C9 . . 117.0(3) ?
    C10 O4 C11 . . 117.2(3) ?
    C7 C1 C6 . . 121.9(3) ?
    C7 C1 C2 . . 122.4(3) ?
    C6 C1 C2 . . 115.6(2) ?
    C1 C2 C3 . . 109.7(2) ?
    C1 C2 C12 . . 111.2(2) ?
    C3 C2 C12 . . 113.5(3) ?
    C4 C3 C2 . . 111.8(2) ?
    C3 C4 C5 . . 111.1(2) ?
    C10 C5 C8 . . 107.5(2) yes
    C10 C5 C4 . . 109.7(2) ?
    C8 C5 C4 . . 109.5(2) ?
    C10 C5 C6 . . 111.1(2) ?
    C8 C5 C6 . . 108.3(2) ?
    C4 C5 C6 . . 110.7(2) ?
    C1 C6 C5 . . 114.6(2) ?
    C1 C7 Si1 . . 132.6(2) yes
    O2 C8 O1 . . 123.7(3) ?
    O2 C8 C5 . . 124.6(3) ?
    O1 C8 C5 . . 111.7(2) ?
    O3 C10 O4 . . 123.2(3) ?
    O3 C10 C5 . . 126.2(3) ?
    O4 C10 C5 . . 110.6(2) ?
    C14 C12 C13 . . 109.2(3) ?
    C14 C12 C2 . . 111.0(3) ?
    C13 C12 C2 . . 113.0(3) ?
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_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C7 Si1 Si2 C15 . . . . 94.9(2) ?
    Si3 Si1 Si2 C15 . . . . -155.4(2) ?
    Si4 Si1 Si2 C15 . . . . -35.9(2) ?
    C7 Si1 Si2 C16 . . . . -26.9(2) ?
    Si3 Si1 Si2 C16 . . . . 82.82(15) ?
    Si4 Si1 Si2 C16 . . . . -157.73(15) ?
    C7 Si1 Si2 C17 . . . . -146.5(3) ?
    Si3 Si1 Si2 C17 . . . . -36.8(2) ?
    Si4 Si1 Si2 C17 . . . . 82.7(2) ?
    C7 Si1 Si3 C19 . . . . -57.2(3) ?
    Si4 Si1 Si3 C19 . . . . 61.9(3) ?
    Si2 Si1 Si3 C19 . . . . -175.8(3) ?
    C7 Si1 Si3 C20 . . . . -179.0(3) ?
    Si4 Si1 Si3 C20 . . . . -59.9(3) ?
    Si2 Si1 Si3 C20 . . . . 62.4(3) ?
    C7 Si1 Si3 C18 . . . . 59.1(3) ?
    Si4 Si1 Si3 C18 . . . . 178.2(2) ?
    Si2 Si1 Si3 C18 . . . . -59.4(2) ?
    C7 Si1 Si4 C21 . . . . -79.8(2) ?
    Si3 Si1 Si4 C21 . . . . 170.4(2) ?
    Si2 Si1 Si4 C21 . . . . 50.7(2) ?
    C7 Si1 Si4 C23 . . . . 160.4(3) ?
    Si3 Si1 Si4 C23 . . . . 50.7(2) ?
    Si2 Si1 Si4 C23 . . . . -69.1(2) ?
    C7 Si1 Si4 C22 . . . . 39.2(3) ?
    Si3 Si1 Si4 C22 . . . . -70.5(3) ?
    Si2 Si1 Si4 C22 . . . . 169.7(3) ?
    C7 C1 C2 C3 . . . . -133.6(3) ?
    C6 C1 C2 C3 . . . . 48.7(3) ?
    C7 C1 C2 C12 . . . . 99.9(3) ?
    C6 C1 C2 C12 . . . . -77.8(3) ?
    C1 C2 C3 C4 . . . . -55.9(3) ?
    C12 C2 C3 C4 . . . . 69.2(3) ?
    C2 C3 C4 C5 . . . . 60.3(3) ?
    C3 C4 C5 C10 . . . . 68.9(3) ?
    C3 C4 C5 C8 . . . . -173.3(3) ?
    C3 C4 C5 C6 . . . . -54.1(3) ?
    C7 C1 C6 C5 . . . . 136.7(3) ?
    C2 C1 C6 C5 . . . . -45.6(3) ?
    C10 C5 C6 C1 . . . . -75.4(3) ?
    C8 C5 C6 C1 . . . . 166.8(2) ?
    C4 C5 C6 C1 . . . . 46.8(3) ?
    C6 C1 C7 Si1 . . . . 6.2(5) yes
    C2 C1 C7 Si1 . . . . -171.3(2) ?
    Si3 Si1 C7 C1 . . . . 158.1(3) ?
    Si4 Si1 C7 C1 . . . . 43.5(3) ?
    Si2 Si1 C7 C1 . . . . -86.8(3) ?
    C9 O1 C8 O2 . . . . 3.9(6) ?
    C9 O1 C8 C5 . . . . -175.9(3) ?
    C10 C5 C8 O2 . . . . 127.6(4) ?
    C4 C5 C8 O2 . . . . 8.5(5) yes
    C6 C5 C8 O2 . . . . -112.2(4) ?
    C10 C5 C8 O1 . . . . -52.6(3) ?
    C4 C5 C8 O1 . . . . -171.8(3) yes
    C6 C5 C8 O1 . . . . 67.5(3) ?
    C11 O4 C10 O3 . . . . 0.3(5) ?
    C11 O4 C10 C5 . . . . -178.8(3) ?
    C8 C5 C10 O3 . . . . 119.3(4) ?
    C4 C5 C10 O3 . . . . -121.8(4) ?
    C6 C5 C10 O3 . . . . 0.9(5) yes
    C8 C5 C10 O4 . . . . -61.7(3) ?
    C4 C5 C10 O4 . . . . 57.3(3) ?
    C6 C5 C10 O4 . . . . -180.0(2) yes
    C1 C2 C12 C14 . . . . -61.9(4) ?
    C3 C2 C12 C14 . . . . 173.7(3) ?
    C1 C2 C12 C13 . . . . 175.0(3) ?
    C3 C2 C12 C13 . . . . 50.7(4) ?
