#------------------------------------------------------------------------------
#$Date: 2017-10-13 14:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201982 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/02/33/4023365.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_4023365
loop_
_publ_author_name
'Alexander O. Terent'ev'
'Maxim M. Platonov'
'Anna I. Tursina'
'Vladimir V. Chernyshev'
'Gennady I. Nikishin'
_publ_contact_author             V.V.Chernyshev
_publ_contact_author_address
;
      Department of Chemistry 
      Moscow State University
      119992 Moscow
      Russia
;
_publ_contact_author_email       vladimir@struct.chem.msu.ru
_publ_contact_author_fax         '+ 7-095-9390898'
_publ_contact_author_name        'Dr. Vladimir V. Chernyshev'
_publ_contact_author_phone       '+ 7-095-9393654'
_publ_section_title
;
 Synthesis of Cyclic Peroxides Containing the Si-gem-bisperoxide
 Fragment. 1,2,4,5,7,8-Hexaoxa-3-silonanes as a New Class of
 Peroxides
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3169
_journal_page_last               3174
_journal_paper_doi               10.1021/jo7027213
_journal_volume                  73
_journal_year                    2008
_chemical_formula_moiety         'C26 H50 O6 Si'
_chemical_formula_sum            'C26 H50 O6 Si'
_chemical_formula_weight         486.75
_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                104.61(3)
_cell_angle_beta                 93.98(3)
_cell_angle_gamma                103.76(3)
_cell_formula_units_Z            2
_cell_length_a                   8.437(3)
_cell_length_b                   11.220(4)
_cell_length_c                   15.985(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      18.68
_cell_measurement_theta_min      12.42
_cell_volume                     1408.7(8)
_computing_cell_refinement       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_collection       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'scintillation LiI'
_diffrn_detector_dtime           1.195
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.98
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Enraf Nonius CAD4'
_diffrn_measurement_method       'non-profiled omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0418
_diffrn_reflns_av_sigmaI/netI    0.1133
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6238
_diffrn_reflns_theta_full        26.98
_diffrn_reflns_theta_max         26.98
_diffrn_reflns_theta_min         1.33
_diffrn_source                   'Enraf Nonius FR590'
_diffrn_standards_decay_%        10
_diffrn_standards_interval_count 120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.119
_exptl_absorpt_correction_T_max  0.991
_exptl_absorpt_correction_T_min  0.958
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
North A.C.T., Phillips D.C. & Mathews F.S. (1968) Acta. Cryst. A24, 351
Number of psi-scan sets used was   5
Theta correction was applied.
Averaged transmission function was used.
No Fourier smoothing was applied.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.148
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       stick
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.232
_refine_diff_density_min         -0.195
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         6017
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.1535
_refine_ls_R_factor_gt           0.0527
_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)+(0.051P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1010
_refine_ls_wR_factor_ref         0.1240
_reflns_number_gt                2454
_reflns_number_total             6017
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo7027213-File005_1.cif
_cod_data_source_block           ioh2
_cod_database_code               4023365
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
Si1 Si 0.18093(15) 0.88468(13) 0.02448(8) 0.0503(4) Uani 1 1 d . . .
O1 O 0.3606(3) 0.8557(3) 0.23190(18) 0.0467(8) Uani 1 1 d . . .
O2 O 0.1892(3) 0.8536(3) 0.24787(18) 0.0477(8) Uani 1 1 d . . .
O3 O 0.1947(3) 1.0158(3) 0.17824(18) 0.0468(7) Uani 1 1 d . . .
O4 O 0.3380(3) 0.8307(3) 0.05478(18) 0.0516(8) Uani 1 1 d . . .
O5 O 0.2639(3) 0.7239(3) 0.08936(19) 0.0496(8) Uani 1 1 d . . .
O6 O 0.0731(3) 0.9231(3) 0.10632(18) 0.0538(8) Uani 1 1 d . . .
C7 C 0.3554(5) 0.7385(4) 0.1711(3) 0.0415(10) Uani 1 1 d . . .
C8 C 0.5400(5) 0.7508(4) 0.1643(3) 0.0451(11) Uani 1 1 d . . .
H8A H 0.5902 0.8349 0.1581 0.054 Uiso 1 1 calc R . .
H8B H 0.5929 0.7446 0.2182 0.054 Uiso 1 1 calc R . .
C9 C 0.3061(5) 1.0816(4) 0.3217(3) 0.0467(11) Uani 1 1 d . . .
H9A H 0.2774 1.1620 0.3296 0.056 Uiso 1 1 calc R . .
H9B H 0.4087 1.0901 0.2970 0.056 Uiso 1 1 calc R . .
C10 C 0.1735(5) 0.9788(4) 0.2564(3) 0.0425(11) Uani 1 1 d . . .
C11 C -0.0028(5) 0.9675(4) 0.2792(3) 0.0510(12) Uani 1 1 d . . .
H11A H -0.0759 0.8915 0.2389 0.061 Uiso 1 1 calc R . .
H11B H -0.0051 0.9564 0.3374 0.061 Uiso 1 1 calc R . .
C12 C 0.2836(6) 1.0221(5) -0.0109(3) 0.0703(15) Uani 1 1 d . . .
H12A H 0.2031 1.0616 -0.0290 0.105 Uiso 1 1 calc R . .
H12B H 0.3408 0.9945 -0.0590 0.105 Uiso 1 1 calc R . .
H12C H 0.3609 1.0825 0.0365 0.105 Uiso 1 1 calc R . .
C13 C 0.7385(6) 0.6180(5) 0.1054(3) 0.0620(14) Uani 1 1 d . . .
H13A H 0.7601 0.5658 0.0513 0.074 Uiso 1 1 calc R . .
H13B H 0.8262 0.6967 0.1230 0.074 Uiso 1 1 calc R . .
C14 C 0.2659(5) 0.6220(4) 0.1962(3) 0.0527(12) Uani 1 1 d . . .
H14A H 0.2838 0.5469 0.1564 0.063 Uiso 1 1 calc R . .
H14B H 0.1488 0.6152 0.1886 0.063 Uiso 1 1 calc R . .
C15 C 0.5731(5) 0.6505(4) 0.0883(3) 0.0542(12) Uani 1 1 d . . .
H15A H 0.5731 0.6811 0.0367 0.065 Uiso 1 1 calc R . .
H15B H 0.4842 0.5730 0.0763 0.065 Uiso 1 1 calc R . .
C16 C -0.2050(5) 1.0967(5) 0.3336(4) 0.0641(14) Uani 1 1 d . . .
H16A H -0.2562 1.1593 0.3195 0.077 Uiso 1 1 calc R . .
H16B H -0.2888 1.0160 0.3196 0.077 Uiso 1 1 calc R . .
C17 C 0.4259(6) 1.1809(5) 0.4809(3) 0.0673(14) Uani 1 1 d . . .
H17A H 0.5253 1.2208 0.4606 0.081 Uiso 1 1 calc R . .
H17B H 0.4590 1.1586 0.5330 0.081 Uiso 1 1 calc R . .
C18 C 0.3243(6) 1.2775(5) 0.5048(3) 0.0657(14) Uani 1 1 d . . .
H18A H 0.3975 1.3591 0.5380 0.079 Uiso 1 1 calc R . .
H18B H 0.2762 1.2891 0.4515 0.079 Uiso 1 1 calc R . .
C19 C -0.0684(6) 1.0812(5) 0.2761(3) 0.0632(14) Uani 1 1 d . . .
H19A H -0.1112 1.0717 0.2162 0.076 Uiso 1 1 calc R . .
H19B H 0.0219 1.1582 0.2949 0.076 Uiso 1 1 calc R . .
C20 C -0.1459(6) 1.1376(5) 0.4297(4) 0.0685(15) Uani 1 1 d . . .
H20A H -0.0763 1.0848 0.4418 0.082 Uiso 1 1 calc R . .
H20B H -0.2406 1.1217 0.4604 0.082 Uiso 1 1 calc R . .
C21 C 0.3355(6) 1.0593(5) 0.4111(3) 0.0625(14) Uani 1 1 d . . .
H21A H 0.2302 1.0240 0.4282 0.075 Uiso 1 1 calc R . .
H21B H 0.3992 0.9971 0.4071 0.075 Uiso 1 1 calc R . .
C22 C 0.7432(6) 0.5481(5) 0.1746(3) 0.0693(15) Uani 1 1 d . . .
H22A H 0.7097 0.5958 0.2268 0.083 Uiso 1 1 calc R . .
H22B H 0.8560 0.5464 0.1893 0.083 Uiso 1 1 calc R . .
C23 C 0.0235(6) 0.7627(5) -0.0583(3) 0.0736(15) Uani 1 1 d . . .
H23A H -0.0633 0.7988 -0.0732 0.110 Uiso 1 1 calc R . .
H23B H -0.0208 0.6922 -0.0355 0.110 Uiso 1 1 calc R . .
H23C H 0.0722 0.7334 -0.1095 0.110 Uiso 1 1 calc R . .
C24 C 0.3169(6) 0.6210(5) 0.2888(3) 0.0623(14) Uani 1 1 d . . .
H24A H 0.2750 0.6828 0.3289 0.075 Uiso 1 1 calc R . .
H24B H 0.4362 0.6473 0.3013 0.075 Uiso 1 1 calc R . .
C25 C 0.1887(6) 1.2399(5) 0.5570(3) 0.0759(16) Uani 1 1 d . . .
H25A H 0.2368 1.2570 0.6171 0.091 Uiso 1 1 calc R . .
H25B H 0.1397 1.1486 0.5348 0.091 Uiso 1 1 calc R . .
C26 C 0.6108(8) 0.3505(5) 0.2237(4) 0.0899(19) Uani 1 1 d . . .
H26A H 0.5545 0.2606 0.1998 0.108 Uiso 1 1 calc R . .
H26B H 0.7183 0.3563 0.2527 0.108 Uiso 1 1 calc R . .
C27 C 0.3327(7) 0.3911(5) 0.2551(4) 0.0819(18) Uani 1 1 d . . .
H27A H 0.3258 0.3916 0.1943 0.098 Uiso 1 1 calc R . .
H27B H 0.2700 0.3077 0.2572 0.098 Uiso 1 1 calc R . .
C28 C 0.2544(7) 0.4908(6) 0.3042(4) 0.0841(18) Uani 1 1 d . . .
H28A H 0.2755 0.4994 0.3662 0.101 Uiso 1 1 calc R . .
H28B H 0.1361 0.4615 0.2869 0.101 Uiso 1 1 calc R . .
C29 C 0.0510(7) 1.3085(6) 0.5556(4) 0.0922(19) Uani 1 1 d . . .
H29A H -0.0221 1.2865 0.5968 0.111 Uiso 1 1 calc R . .
H29B H 0.1002 1.4000 0.5752 0.111 Uiso 1 1 calc R . .
C30 C 0.5141(7) 0.4106(5) 0.2905(4) 0.0754(16) Uani 1 1 d . . .
H30A H 0.5666 0.5015 0.3119 0.091 Uiso 1 1 calc R . .
H30B H 0.5181 0.3747 0.3396 0.091 Uiso 1 1 calc R . .
C31 C 0.6342(7) 0.4117(5) 0.1485(4) 0.0831(18) Uani 1 1 d . . .
H31A H 0.6817 0.3596 0.1045 0.100 Uiso 1 1 calc R . .
H31B H 0.5269 0.4112 0.1221 0.100 Uiso 1 1 calc R . .
C32 C -0.0508(7) 1.2760(5) 0.4663(4) 0.0821(17) Uani 1 1 d . . .
H32A H -0.1281 1.3282 0.4705 0.099 Uiso 1 1 calc R . .
H32B H 0.0224 1.2989 0.4254 0.099 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'
Si Si 0.0817 0.0704 '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
O6 Si1 O4 111.92(15) . . ?
O6 Si1 C12 112.8(2) . . ?
O4 Si1 C12 102.75(19) . . ?
O6 Si1 C23 102.0(2) . . ?
O4 Si1 C23 113.1(2) . . ?
C12 Si1 C23 114.7(2) . . ?
C7 O1 O2 107.3(3) . . ?
C10 O2 O1 106.7(3) . . ?
C10 O3 O6 109.0(3) . . ?
O5 O4 Si1 105.4(2) . . ?
C7 O5 O4 109.2(3) . . ?
O3 O6 Si1 105.3(2) . . ?
O1 C7 O5 111.8(3) . . ?
O1 C7 C14 114.2(3) . . ?
O5 C7 C14 102.3(3) . . ?
O1 C7 C8 101.8(3) . . ?
O5 C7 C8 111.9(3) . . ?
C14 C7 C8 115.1(3) . . ?
C15 C8 C7 114.2(4) . . ?
C15 C8 H8A 108.7 . . ?
C7 C8 H8A 108.7 . . ?
C15 C8 H8B 108.7 . . ?
C7 C8 H8B 108.7 . . ?
H8A C8 H8B 107.6 . . ?
C10 C9 C21 115.7(4) . . ?
C10 C9 H9A 108.4 . . ?
C21 C9 H9A 108.4 . . ?
C10 C9 H9B 108.4 . . ?
C21 C9 H9B 108.4 . . ?
H9A C9 H9B 107.4 . . ?
O2 C10 O3 112.1(3) . . ?
O2 C10 C9 113.9(3) . . ?
O3 C10 C9 102.0(3) . . ?
O2 C10 C11 102.0(3) . . ?
O3 C10 C11 112.4(3) . . ?
C9 C10 C11 114.9(4) . . ?
C19 C11 C10 114.5(4) . . ?
C19 C11 H11A 108.6 . . ?
C10 C11 H11A 108.6 . . ?
C19 C11 H11B 108.6 . . ?
C10 C11 H11B 108.6 . . ?
H11A C11 H11B 107.6 . . ?
Si1 C12 H12A 109.5 . . ?
Si1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C22 C13 C15 114.1(4) . . ?
C22 C13 H13A 108.7 . . ?
C15 C13 H13A 108.7 . . ?
C22 C13 H13B 108.7 . . ?
C15 C13 H13B 108.7 . . ?
H13A C13 H13B 107.6 . . ?
C7 C14 C24 115.1(4) . . ?
C7 C14 H14A 108.5 . . ?
C24 C14 H14A 108.5 . . ?
C7 C14 H14B 108.5 . . ?
C24 C14 H14B 108.5 . . ?
H14A C14 H14B 107.5 . . ?
C8 C15 C13 113.6(4) . . ?
C8 C15 H15A 108.8 . . ?
C13 C15 H15A 108.8 . . ?
C8 C15 H15B 108.8 . . ?
C13 C15 H15B 108.8 . . ?
H15A C15 H15B 107.7 . . ?
C20 C16 C19 114.0(4) . . ?
C20 C16 H16A 108.7 . . ?
C19 C16 H16A 108.7 . . ?
C20 C16 H16B 108.7 . . ?
C19 C16 H16B 108.7 . . ?
H16A C16 H16B 107.6 . . ?
C21 C17 C18 113.9(4) . . ?
C21 C17 H17A 108.8 . . ?
C18 C17 H17A 108.8 . . ?
C21 C17 H17B 108.8 . . ?
C18 C17 H17B 108.8 . . ?
H17A C17 H17B 107.7 . . ?
C25 C18 C17 114.2(4) . . ?
C25 C18 H18A 108.7 . . ?
C17 C18 H18A 108.7 . . ?
C25 C18 H18B 108.7 . . ?
C17 C18 H18B 108.7 . . ?
H18A C18 H18B 107.6 . . ?
C11 C19 C16 113.4(4) . . ?
C11 C19 H19A 108.9 . . ?
C16 C19 H19A 108.9 . . ?
C11 C19 H19B 108.9 . . ?
C16 C19 H19B 108.9 . . ?
H19A C19 H19B 107.7 . . ?
C16 C20 C32 115.2(5) . . ?
C16 C20 H20A 108.5 . . ?
C32 C20 H20A 108.5 . . ?
C16 C20 H20B 108.5 . . ?
C32 C20 H20B 108.5 . . ?
H20A C20 H20B 107.5 . . ?
C17 C21 C9 112.6(4) . . ?
C17 C21 H21A 109.1 . . ?
C9 C21 H21A 109.1 . . ?
C17 C21 H21B 109.1 . . ?
C9 C21 H21B 109.1 . . ?
H21A C21 H21B 107.8 . . ?
C13 C22 C31 114.7(4) . . ?
C13 C22 H22A 108.6 . . ?
C31 C22 H22A 108.6 . . ?
C13 C22 H22B 108.6 . . ?
C31 C22 H22B 108.6 . . ?
H22A C22 H22B 107.6 . . ?
Si1 C23 H23A 109.5 . . ?
Si1 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si1 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C14 C24 C28 112.9(4) . . ?
C14 C24 H24A 109.0 . . ?
C28 C24 H24A 109.0 . . ?
C14 C24 H24B 109.0 . . ?
C28 C24 H24B 109.0 . . ?
H24A C24 H24B 107.8 . . ?
C18 C25 C29 115.0(5) . . ?
C18 C25 H25A 108.5 . . ?
C29 C25 H25A 108.5 . . ?
C18 C25 H25B 108.5 . . ?
C29 C25 H25B 108.5 . . ?
H25A C25 H25B 107.5 . . ?
C30 C26 C31 114.1(4) . . ?
C30 C26 H26A 108.7 . . ?
C31 C26 H26A 108.7 . . ?
C30 C26 H26B 108.7 . . ?
C31 C26 H26B 108.7 . . ?
H26A C26 H26B 107.6 . . ?
C28 C27 C30 114.2(5) . . ?
C28 C27 H27A 108.7 . . ?
C30 C27 H27A 108.7 . . ?
C28 C27 H27B 108.7 . . ?
C30 C27 H27B 108.7 . . ?
H27A C27 H27B 107.6 . . ?
C27 C28 C24 113.6(4) . . ?
C27 C28 H28A 108.8 . . ?
C24 C28 H28A 108.8 . . ?
C27 C28 H28B 108.8 . . ?
C24 C28 H28B 108.8 . . ?
H28A C28 H28B 107.7 . . ?
C32 C29 C25 114.2(4) . . ?
C32 C29 H29A 108.7 . . ?
C25 C29 H29A 108.7 . . ?
C32 C29 H29B 108.7 . . ?
C25 C29 H29B 108.7 . . ?
H29A C29 H29B 107.6 . . ?
C26 C30 C27 113.7(5) . . ?
C26 C30 H30A 108.8 . . ?
C27 C30 H30A 108.8 . . ?
C26 C30 H30B 108.8 . . ?
C27 C30 H30B 108.8 . . ?
H30A C30 H30B 107.7 . . ?
C22 C31 C26 114.7(5) . . ?
C22 C31 H31A 108.6 . . ?
C26 C31 H31A 108.6 . . ?
C22 C31 H31B 108.6 . . ?
C26 C31 H31B 108.6 . . ?
H31A C31 H31B 107.6 . . ?
C20 C32 C29 115.0(5) . . ?
C20 C32 H32A 108.5 . . ?
C29 C32 H32A 108.5 . . ?
C20 C32 H32B 108.5 . . ?
C29 C32 H32B 108.5 . . ?
H32A C32 H32B 107.5 . . ?
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
Si1 O6 1.671(3) . ?
Si1 O4 1.673(3) . ?
Si1 C12 1.822(5) . ?
Si1 C23 1.834(5) . ?
O1 C7 1.414(4) . ?
O1 O2 1.482(3) . ?
O2 C10 1.415(4) . ?
O3 C10 1.422(5) . ?
O3 O6 1.477(4) . ?
O4 O5 1.470(4) . ?
O5 C7 1.422(5) . ?
C7 C14 1.509(6) . ?
C7 C8 1.545(5) . ?
C8 C15 1.526(6) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.512(6) . ?
C9 C21 1.526(6) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.540(5) . ?
C11 C19 1.516(6) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C22 1.512(7) . ?
C13 C15 1.547(6) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C24 1.515(6) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C20 1.500(7) . ?
C16 C19 1.538(6) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C21 1.518(7) . ?
C17 C18 1.528(6) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C25 1.505(7) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C32 1.510(7) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C31 1.522(7) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C28 1.519(7) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 C29 1.540(7) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 C30 1.510(7) . ?
C26 C31 1.529(7) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C28 1.512(8) . ?
C27 C30 1.539(7) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 C32 1.526(8) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30658663
