#------------------------------------------------------------------------------
#$Date: 2025-08-19 08:12:48 +0200 (Tue 19 de Aug de 2025) $
#$Revision: 301798 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/43/2014382.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2014382
loop_
_publ_author_name
'Andrade, L. C. R.'
'Paixão, J. A.'
'de Almeida, M. J. M.'
'Siquet, C.'
'Borges, F.'
_publ_section_title
;
 2,2,4,4-Tetra-tert-butyl-1,3,5,2,4-benzotrioxadisilepine-7-carbaldehyde
;
_journal_coden_ASTM              ACSCEE
_journal_coeditor_code           SF1028
_journal_issue                   2
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              o96
_journal_page_last               o97
_journal_paper_doi               10.1107/s0108270105043052
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'C23 H40 O4 Si2'
_chemical_formula_moiety         'C23 H40 O4 Si2'
_chemical_formula_sum            'C23 H40 O4 Si2'
_chemical_formula_weight         436.73
_chemical_name_systematic
;
 2,2,4,4-Tetra-tert-butyl-1,3,5,2,4-benzotrioxadisilepine-7-carbaldehyde
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                98.127(8)
_cell_angle_beta                 90.392(5)
_cell_angle_gamma                107.899(10)
_cell_formula_units_Z            2
_cell_length_a                   8.8451(5)
_cell_length_b                   9.751(3)
_cell_length_c                   16.1106(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      23.80
_cell_measurement_theta_min      8.32
_cell_volume                     1307.2(4)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf--Nonius, 1989)'
_computing_data_reduction        'HELENA (Spek,1997)'
_computing_molecular_graphics    'ORTEPII (Johnson,1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Enraf--Nonius MACH3'
_diffrn_measurement_method       'ω--2θ '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0198
_diffrn_reflns_av_sigmaI/netI    0.0166
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5292
_diffrn_reflns_theta_full        72.25
_diffrn_reflns_theta_max         72.25
_diffrn_reflns_theta_min         4.82
_diffrn_standards_decay_%        0.093
_diffrn_standards_interval_time  180
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.415
_exptl_absorpt_correction_T_max  0.845
_exptl_absorpt_correction_T_min  0.773
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al.,  1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.110
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             476
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.366
_refine_diff_density_min         -0.302
_refine_ls_extinction_coef       0.0027(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     285
_refine_ls_number_reflns         5079
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0711
_refine_ls_R_factor_gt           0.0483
_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)+(0.0607P)²+0.8484P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1294
_refine_ls_wR_factor_ref         0.1479
_reflns_number_gt                3922
_reflns_number_total             5079
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sf1028sup1.cif
_cod_data_source_block           II
_cod_database_code               2014382
_cod_database_fobs_code          2014382
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
O1 0.5752(2) 0.68327(18) 0.34745(11) 0.0579(5) Uani d . 1 . . O
Si2 0.58456(8) 0.53872(7) 0.28322(4) 0.0492(2) Uani d . 1 . . Si
O3 0.6485(2) 0.59544(17) 0.19479(10) 0.0518(4) Uani d . 1 . . O
Si4 0.74686(8) 0.75653(7) 0.17215(4) 0.0492(2) Uani d . 1 . . Si
O5 0.8361(2) 0.85593(19) 0.26083(11) 0.0609(5) Uani d . 1 . . O
C6 0.7990(3) 0.9014(3) 0.33946(16) 0.0511(6) Uani d . 1 . . C
C7 0.6762(3) 0.8160(3) 0.38232(16) 0.0510(6) Uani d . 1 . . C
C8 0.6518(3) 0.8696(3) 0.46349(16) 0.0591(6) Uani d . 1 . . C
H8 0.5708 0.8134 0.4923 0.071 Uiso calc R 1 . . H
C9 0.7459(4) 1.0056(3) 0.50292(18) 0.0664(7) Uani d . 1 A . C
C10 0.8661(4) 1.0883(3) 0.4603(2) 0.0713(8) Uani d . 1 . . C
H10 0.9293 1.1797 0.4861 0.086 Uiso calc R 1 . . H
C11 0.8931(3) 1.0361(3) 0.37957(18) 0.0635(7) Uani d . 1 . . C
H11 0.9758 1.0921 0.3516 0.076 Uiso calc R 1 . . H
C12 0.3709(3) 0.4178(3) 0.26588(18) 0.0618(7) Uani d . 1 . . C
C13 0.3588(5) 0.2720(4) 0.2126(3) 0.1153(16) Uani d . 1 . . C
H13A 0.2490 0.2186 0.1980 0.173 Uiso calc R 1 . . H
H13B 0.4050 0.2168 0.2440 0.173 Uiso calc R 1 . . H
H13C 0.4149 0.2890 0.1624 0.173 Uiso calc R 1 . . H
C14 0.2896(4) 0.3914(5) 0.3490(3) 0.1036(13) Uani d . 1 . . C
H14A 0.1774 0.3447 0.3376 0.155 Uiso calc R 1 . . H
H14B 0.3070 0.4831 0.3847 0.155 Uiso calc R 1 . . H
H14C 0.3337 0.3302 0.3765 0.155 Uiso calc R 1 . . H
C15 0.2743(4) 0.4932(4) 0.2200(3) 0.0926(12) Uani d . 1 . . C
H15A 0.3177 0.5102 0.1666 0.139 Uiso calc R 1 . . H
H15B 0.2791 0.5846 0.2531 0.139 Uiso calc R 1 . . H
H15C 0.1656 0.4321 0.2116 0.139 Uiso calc R 1 . . H
C16 0.7281(4) 0.4590(3) 0.33137(19) 0.0649(7) Uani d . 1 . . C
C17 0.8844(4) 0.5788(4) 0.3606(2) 0.0854(10) Uani d . 1 . . C
H17A 0.8649 0.6480 0.4043 0.128 Uiso calc R 1 . . H
H17B 0.9278 0.6272 0.3142 0.128 Uiso calc R 1 . . H
H17C 0.9587 0.5363 0.3816 0.128 Uiso calc R 1 . . H
C18 0.7669(5) 0.3421(4) 0.2678(3) 0.0936(11) Uani d . 1 . . C
H18A 0.8049 0.3826 0.2181 0.140 Uiso calc R 1 . . H
H18B 0.6726 0.2603 0.2534 0.140 Uiso calc R 1 . . H
H18C 0.8474 0.3106 0.2923 0.140 Uiso calc R 1 . . H
C19 0.6587(5) 0.3878(5) 0.4078(3) 0.1084(14) Uani d . 1 . . C
H19A 0.7380 0.3583 0.4349 0.163 Uiso calc R 1 . . H
H19B 0.5682 0.3039 0.3896 0.163 Uiso calc R 1 . . H
H19C 0.6266 0.4566 0.4465 0.163 Uiso calc R 1 . . H
C20 0.6074(4) 0.8472(3) 0.12998(19) 0.0640(7) Uani d . 1 . . C
C21 0.5049(4) 0.8861(4) 0.2008(2) 0.0761(9) Uani d . 1 . . C
H21A 0.4290 0.9256 0.1787 0.114 Uiso calc R 1 . . H
H21B 0.5721 0.9571 0.2440 0.114 Uiso calc R 1 . . H
H21C 0.4498 0.8000 0.2240 0.114 Uiso calc R 1 . . H
C22 0.7006(5) 0.9915(4) 0.0998(3) 0.1006(13) Uani d . 1 . . C
H22A 0.6284 1.0432 0.0880 0.151 Uiso calc R 1 . . H
H22B 0.7530 0.9708 0.0497 0.151 Uiso calc R 1 . . H
H22C 0.7785 1.0503 0.1428 0.151 Uiso calc R 1 . . H
C23 0.4961(5) 0.7465(5) 0.0576(2) 0.0954(11) Uani d . 1 . . C
H23A 0.4413 0.6551 0.0755 0.143 Uiso calc R 1 . . H
H23B 0.5575 0.7300 0.0105 0.143 Uiso calc R 1 . . H
H23C 0.4201 0.7914 0.0416 0.143 Uiso calc R 1 . . H
C24 0.9178(4) 0.7444(3) 0.10486(18) 0.0649(7) Uani d . 1 . . C
C25 1.0450(5) 0.8934(5) 0.1079(3) 0.1112(15) Uani d . 1 . . C
H25A 1.0810 0.9331 0.1651 0.167 Uiso calc R 1 . . H
H25B 1.0004 0.9582 0.0841 0.167 Uiso calc R 1 . . H
H25C 1.1332 0.8820 0.0763 0.167 Uiso calc R 1 . . H
C26 0.8623(6) 0.6850(6) 0.0136(3) 0.1323(19) Uani d . 1 . . C
H26A 0.9523 0.6816 -0.0187 0.198 Uiso calc R 1 . . H
H26B 0.8113 0.7472 -0.0081 0.198 Uiso calc R 1 . . H
H26C 0.7884 0.5885 0.0100 0.198 Uiso calc R 1 . . H
C27 1.0036(5) 0.6483(5) 0.1384(3) 0.1155(16) Uani d . 1 . . C
H27A 0.9316 0.5512 0.1358 0.173 Uiso calc R 1 . . H
H27B 1.0409 0.6871 0.1956 0.173 Uiso calc R 1 . . H
H27C 1.0925 0.6461 0.1049 0.173 Uiso calc R 1 . . H
C28 0.7166(6) 1.0566(5) 0.5905(2) 0.0990(12) Uani d . 1 . . C
H28A 0.7631 1.1554 0.6101 0.119 Uiso calc PR 0.558(8) A 1 H
H28B 0.6472 0.9867 0.6177 0.119 Uiso calc PR 0.442(8) A 2 H
O28A 0.6445(8) 0.9893(6) 0.6357(3) 0.119(2) Uani d P 0.558(8) A 1 O
O28B 0.7684(9) 1.1729(8) 0.6307(5) 0.138(4) Uani d P 0.442(8) A 2 O
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C7 O1 Si2 . . 137.83(17) ?
O3 Si2 O1 . . 106.59(9) ?
O3 Si2 C12 . . 109.37(11) ?
O1 Si2 C12 . . 104.18(12) ?
O3 Si2 C16 . . 110.85(12) ?
O1 Si2 C16 . . 109.01(12) ?
C12 Si2 C16 . . 116.22(13) ?
Si4 O3 Si2 . . 132.40(11) ?
O3 Si4 O5 . . 106.64(9) ?
O3 Si4 C24 . . 110.27(12) ?
O5 Si4 C24 . . 103.48(12) ?
O3 Si4 C20 . . 111.13(11) ?
O5 Si4 C20 . . 108.72(12) ?
C24 Si4 C20 . . 115.93(13) ?
C6 O5 Si4 . . 139.40(17) ?
O5 C6 C11 . . 117.4(2) ?
O5 C6 C7 . . 123.2(2) ?
C11 C6 C7 . . 119.3(2) ?
O1 C7 C8 . . 117.5(2) ?
O1 C7 C6 . . 123.6(2) ?
C8 C7 C6 . . 118.9(2) ?
C7 C8 C9 . . 121.4(3) ?
C7 C8 H8 . . 119.3 ?
C9 C8 H8 . . 119.3 ?
C10 C9 C8 . . 119.3(3) ?
C10 C9 C28 . . 121.6(3) ?
C8 C9 C28 . . 119.2(3) ?
C9 C10 C11 . . 120.2(3) ?
C9 C10 H10 . . 119.9 ?
C11 C10 H10 . . 119.9 ?
C10 C11 C6 . . 121.0(3) ?
C10 C11 H11 . . 119.5 ?
C6 C11 H11 . . 119.5 ?
C13 C12 C15 . . 108.3(3) ?
C13 C12 C14 . . 109.8(3) ?
C15 C12 C14 . . 105.5(3) ?
C13 C12 Si2 . . 111.2(2) ?
C15 C12 Si2 . . 109.49(19) ?
C14 C12 Si2 . . 112.3(2) ?
C12 C13 H13A . . 109.5 ?
C12 C13 H13B . . 109.5 ?
H13A C13 H13B . . 109.5 ?
C12 C13 H13C . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
C12 C14 H14A . . 109.5 ?
C12 C14 H14B . . 109.5 ?
H14A C14 H14B . . 109.5 ?
C12 C14 H14C . . 109.5 ?
H14A C14 H14C . . 109.5 ?
H14B C14 H14C . . 109.5 ?
C12 C15 H15A . . 109.5 ?
C12 C15 H15B . . 109.5 ?
H15A C15 H15B . . 109.5 ?
C12 C15 H15C . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
C17 C16 C19 . . 108.1(3) ?
C17 C16 C18 . . 107.9(3) ?
C19 C16 C18 . . 108.0(3) ?
C17 C16 Si2 . . 110.2(2) ?
C19 C16 Si2 . . 111.0(2) ?
C18 C16 Si2 . . 111.6(2) ?
C16 C17 H17A . . 109.5 ?
C16 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
C16 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
C16 C18 H18A . . 109.5 ?
C16 C18 H18B . . 109.5 ?
H18A C18 H18B . . 109.5 ?
C16 C18 H18C . . 109.5 ?
H18A C18 H18C . . 109.5 ?
H18B C18 H18C . . 109.5 ?
C16 C19 H19A . . 109.5 ?
C16 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
C16 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
C23 C20 C21 . . 108.5(3) ?
C23 C20 C22 . . 109.3(3) ?
C21 C20 C22 . . 106.7(3) ?
C23 C20 Si4 . . 111.6(2) ?
C21 C20 Si4 . . 109.4(2) ?
C22 C20 Si4 . . 111.3(2) ?
C20 C21 H21A . . 109.5 ?
C20 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
C20 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
C20 C22 H22A . . 109.5 ?
C20 C22 H22B . . 109.5 ?
H22A C22 H22B . . 109.5 ?
C20 C22 H22C . . 109.5 ?
H22A C22 H22C . . 109.5 ?
H22B C22 H22C . . 109.5 ?
C20 C23 H23A . . 109.5 ?
C20 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
C20 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
C26 C24 C27 . . 109.4(3) ?
C26 C24 C25 . . 108.2(3) ?
C27 C24 C25 . . 105.0(3) ?
C26 C24 Si4 . . 111.8(2) ?
C27 C24 Si4 . . 110.3(2) ?
C25 C24 Si4 . . 111.8(2) ?
C24 C25 H25A . . 109.5 ?
C24 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
C24 C25 H25C . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 109.5 ?
C24 C26 H26A . . 109.5 ?
C24 C26 H26B . . 109.5 ?
H26A C26 H26B . . 109.5 ?
C24 C26 H26C . . 109.5 ?
H26A C26 H26C . . 109.5 ?
H26B C26 H26C . . 109.5 ?
C24 C27 H27A . . 109.5 ?
C24 C27 H27B . . 109.5 ?
H27A C27 H27B . . 109.5 ?
C24 C27 H27C . . 109.5 ?
H27A C27 H27C . . 109.5 ?
H27B C27 H27C . . 109.5 ?
O28A C28 O28B . . 103.5(6) ?
O28A C28 C9 . . 127.1(5) ?
O28B C28 C9 . . 129.3(6) ?
O28A C28 H28A . . 116.5 ?
O28B C28 H28A . . 13.4 ?
C9 C28 H28A . . 116.5 ?
O28A C28 H28B . . 12.4 ?
O28B C28 H28B . . 115.3 ?
C9 C28 H28B . . 115.3 ?
H28A C28 H28B . . 128.0 ?
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
O1 C7 . 1.366(3) ?
O1 Si2 . 1.6508(19) ?
Si2 O3 . 1.6422(17) ?
Si2 C12 . 1.890(3) ?
Si2 C16 . 1.893(3) ?
O3 Si4 . 1.6383(17) ?
Si4 O5 . 1.6513(19) ?
Si4 C24 . 1.890(3) ?
Si4 C20 . 1.896(3) ?
O5 C6 . 1.359(3) ?
C6 C11 . 1.384(3) ?
C6 C7 . 1.402(3) ?
C7 C8 . 1.381(4) ?
C8 C9 . 1.390(4) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.375(4) ?
C9 C28 . 1.481(5) ?
C10 C11 . 1.379(4) ?
C10 H10 . 0.9300 ?
C11 H11 . 0.9300 ?
C12 C13 . 1.526(4) ?
C12 C15 . 1.532(4) ?
C12 C14 . 1.541(5) ?
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 H15A . 0.9600 ?
C15 H15B . 0.9600 ?
C15 H15C . 0.9600 ?
C16 C17 . 1.530(4) ?
C16 C19 . 1.537(4) ?
C16 C18 . 1.543(5) ?
C17 H17A . 0.9600 ?
C17 H17B . 0.9600 ?
C17 H17C . 0.9600 ?
C18 H18A . 0.9600 ?
C18 H18B . 0.9600 ?
C18 H18C . 0.9600 ?
C19 H19A . 0.9600 ?
C19 H19B . 0.9600 ?
C19 H19C . 0.9600 ?
C20 C23 . 1.536(5) ?
C20 C21 . 1.540(4) ?
C20 C22 . 1.544(4) ?
C21 H21A . 0.9600 ?
C21 H21B . 0.9600 ?
C21 H21C . 0.9600 ?
C22 H22A . 0.9600 ?
C22 H22B . 0.9600 ?
C22 H22C . 0.9600 ?
C23 H23A . 0.9600 ?
C23 H23B . 0.9600 ?
C23 H23C . 0.9600 ?
C24 C26 . 1.521(5) ?
C24 C27 . 1.523(5) ?
C24 C25 . 1.534(5) ?
C25 H25A . 0.9600 ?
C25 H25B . 0.9600 ?
C25 H25C . 0.9600 ?
C26 H26A . 0.9600 ?
C26 H26B . 0.9600 ?
C26 H26C . 0.9600 ?
C27 H27A . 0.9600 ?
C27 H27B . 0.9600 ?
C27 H27C . 0.9600 ?
C28 O28A . 1.118(6) ?
C28 O28B . 1.176(7) ?
C28 H28A . 0.9300 ?
C28 H28B . 0.9300 ?
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 O1 Si2 O3 . . . . -59.1(3) ?
C7 O1 Si2 C12 . . . . -174.7(2) ?
C7 O1 Si2 C16 . . . . 60.6(3) ?
O1 Si2 O3 Si4 . . . . 21.15(18) ?
C12 Si2 O3 Si4 . . . . 133.22(16) ?
C16 Si2 O3 Si4 . . . . -97.36(17) ?
Si2 O3 Si4 O5 . . . . 20.80(18) ?
Si2 O3 Si4 C24 . . . . 132.50(17) ?
Si2 O3 Si4 C20 . . . . -97.53(18) ?
O3 Si4 O5 C6 . . . . -56.7(3) ?
C24 Si4 O5 C6 . . . . -173.0(3) ?
C20 Si4 O5 C6 . . . . 63.2(3) ?
Si4 O5 C6 C11 . . . . -148.3(2) ?
Si4 O5 C6 C7 . . . . 34.8(4) ?
Si2 O1 C7 C8 . . . . -143.9(2) ?
Si2 O1 C7 C6 . . . . 37.9(4) ?
O5 C6 C7 O1 . . . . -4.5(4) ?
C11 C6 C7 O1 . . . . 178.6(2) ?
O5 C6 C7 C8 . . . . 177.3(2) ?
C11 C6 C7 C8 . . . . 0.5(4) ?
O1 C7 C8 C9 . . . . -178.0(3) ?
C6 C7 C8 C9 . . . . 0.2(4) ?
C7 C8 C9 C10 . . . . -0.3(5) ?
C7 C8 C9 C28 . . . . -178.9(3) ?
C8 C9 C10 C11 . . . . -0.3(5) ?
C28 C9 C10 C11 . . . . 178.3(3) ?
C9 C10 C11 C6 . . . . 1.0(5) ?
O5 C6 C11 C10 . . . . -178.2(3) ?
C7 C6 C11 C10 . . . . -1.1(4) ?
O3 Si2 C12 C13 . . . . 70.8(3) ?
O1 Si2 C12 C13 . . . . -175.5(3) ?
C16 Si2 C12 C13 . . . . -55.6(3) ?
O3 Si2 C12 C15 . . . . -48.8(3) ?
O1 Si2 C12 C15 . . . . 64.8(3) ?
C16 Si2 C12 C15 . . . . -175.2(2) ?
O3 Si2 C12 C14 . . . . -165.7(2) ?
O1 Si2 C12 C14 . . . . -52.1(3) ?
C16 Si2 C12 C14 . . . . 67.9(3) ?
O3 Si2 C16 C17 . . . . 67.7(3) ?
O1 Si2 C16 C17 . . . . -49.4(3) ?
C12 Si2 C16 C17 . . . . -166.7(2) ?
O3 Si2 C16 C19 . . . . -172.6(2) ?
O1 Si2 C16 C19 . . . . 70.4(3) ?
C12 Si2 C16 C19 . . . . -46.9(3) ?
O3 Si2 C16 C18 . . . . -52.1(2) ?
O1 Si2 C16 C18 . . . . -169.1(2) ?
C12 Si2 C16 C18 . . . . 73.6(3) ?
O3 Si4 C20 C23 . . . . -51.6(2) ?
O5 Si4 C20 C23 . . . . -168.6(2) ?
C24 Si4 C20 C23 . . . . 75.4(3) ?
O3 Si4 C20 C21 . . . . 68.4(2) ?
O5 Si4 C20 C21 . . . . -48.7(2) ?
C24 Si4 C20 C21 . . . . -164.7(2) ?
O3 Si4 C20 C22 . . . . -174.0(2) ?
O5 Si4 C20 C22 . . . . 69.0(3) ?
C24 Si4 C20 C22 . . . . -47.0(3) ?
O3 Si4 C24 C26 . . . . 78.6(3) ?
O5 Si4 C24 C26 . . . . -167.6(3) ?
C20 Si4 C24 C26 . . . . -48.7(3) ?
O3 Si4 C24 C27 . . . . -43.4(3) ?
O5 Si4 C24 C27 . . . . 70.3(3) ?
C20 Si4 C24 C27 . . . . -170.8(3) ?
O3 Si4 C24 C25 . . . . -159.8(3) ?
O5 Si4 C24 C25 . . . . -46.1(3) ?
C20 Si4 C24 C25 . . . . 72.8(3) ?
C10 C9 C28 O28A . . . . -163.7(6) ?
C8 C9 C28 O28A . . . . 14.9(8) ?
C10 C9 C28 O28B . . . . 11.8(9) ?
C8 C9 C28 O28B . . . . -169.6(7) ?
loop_
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_cod_related_entry_code
1 PubChem 91360133
