#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/63/4066397.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_4066397
loop_
_publ_author_name
'Gao, Yihua'
'Zhang, Jianying'
'Hu, Hongfan'
'Cui, Chunming'
_publ_section_title
;
 Base-Stabilized 1-Silacyclopenta-2,4-dienylidenes
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3063
_journal_paper_doi               10.1021/om100447g
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C53 H68 N2 O3.5 Si'
_chemical_formula_weight         817.18
_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                92.464(5)
_cell_angle_beta                 111.247(4)
_cell_angle_gamma                113.704(6)
_cell_formula_units_Z            2
_cell_length_a                   13.436(7)
_cell_length_b                   13.620(7)
_cell_length_c                   15.581(7)
_cell_measurement_reflns_used    7568
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.1
_cell_measurement_theta_min      1.8
_cell_volume                     2373(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku Saturn CCD area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  multilayer
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0477
_diffrn_reflns_av_sigmaI/netI    0.0528
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            24801
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.67
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.094
_exptl_absorpt_correction_T_max  0.9888
_exptl_absorpt_correction_T_min  0.9815
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.144
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             884
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.568
_refine_diff_density_min         -0.530
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     611
_refine_ls_number_reflns         8369
_refine_ls_number_restraints     90
_refine_ls_restrained_S_all      21.339
_refine_ls_R_factor_all          0.0947
_refine_ls_R_factor_gt           0.0778
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0962P)²+1.3921P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1972
_refine_ls_wR_factor_ref         0.2100
_reflns_number_gt                6801
_reflns_number_total             8369
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om100447g_si_002.cif
_cod_data_source_block           shelx
_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.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C53 H68 N2 O3.50 Si'
_cod_database_code               4066397
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 0.5136(13) 0.0047(12) 0.3546(10) 0.033(4) Uani 1 1 d . . .
N1 N 0.396(4) 0.104(4) 0.209(3) 0.038(11) Uani 1 1 d . . .
N2 N 0.316(4) 0.063(4) 0.309(3) 0.034(10) Uani 1 1 d . . .
C1 C 0.663(5) 0.123(5) 0.387(4) 0.036(12) Uani 1 1 d . . .
C2 C 0.727(5) 0.088(5) 0.351(4) 0.036(12) Uani 1 1 d . . .
C3 C 0.657(5) -0.021(4) 0.288(4) 0.033(12) Uani 1 1 d . . .
C4 C 0.536(5) -0.072(4) 0.268(4) 0.033(12) Uani 1 1 d . . .
C5 C 0.446(5) -0.177(4) 0.201(4) 0.034(12) Uani 1 1 d . . .
C6 C 0.450(5) -0.213(5) 0.117(4) 0.041(14) Uani 1 1 d . . .
H6 H 0.5161 -0.1701 0.1031 0.050 Uiso 1 1 calc R . .
C7 C 0.360(6) -0.310(5) 0.053(5) 0.051(16) Uani 1 1 d . . .
H7 H 0.3659 -0.3321 -0.0028 0.061 Uiso 1 1 calc R . .
C8 C 0.262(6) -0.375(5) 0.070(5) 0.053(17) Uani 1 1 d . . .
H8 H 0.2005 -0.4415 0.0262 0.064 Uiso 1 1 calc R . .
C9 C 0.254(5) -0.340(5) 0.151(5) 0.050(16) Uani 1 1 d . . .
H9 H 0.1868 -0.3825 0.1634 0.060 Uiso 1 1 calc R . .
C10 C 0.344(5) -0.243(5) 0.215(4) 0.040(13) Uani 1 1 d . . .
H10 H 0.3370 -0.2212 0.2703 0.048 Uiso 1 1 calc R . .
C11 C 0.720(5) -0.073(5) 0.255(4) 0.038(13) Uani 1 1 d . . .
C12 C 0.776(5) -0.030(6) 0.196(4) 0.048(15) Uani 1 1 d . . .
H12 H 0.7755 0.0342 0.1762 0.057 Uiso 1 1 calc R . .
C13 C 0.834(6) -0.080(7) 0.167(5) 0.06(2) Uani 1 1 d . . .
H13 H 0.8713 -0.0503 0.1264 0.077 Uiso 1 1 calc R . .
C14 C 0.836(6) -0.174(8) 0.196(6) 0.07(3) Uani 1 1 d . . .
H14 H 0.8755 -0.2085 0.1759 0.088 Uiso 1 1 calc R . .
C15 C 0.781(7) -0.218(7) 0.254(5) 0.07(2) Uani 1 1 d . . .
H15 H 0.7827 -0.2823 0.2744 0.081 Uiso 1 1 calc R . .
C16 C 0.722(6) -0.168(5) 0.284(5) 0.051(16) Uani 1 1 d . . .
H16 H 0.6839 -0.1992 0.3231 0.061 Uiso 1 1 calc R . .
C17 C 0.859(5) 0.149(5) 0.379(4) 0.037(13) Uani 1 1 d . . .
C18 C 0.939(5) 0.130(5) 0.454(4) 0.046(15) Uani 1 1 d . . .
H18 H 0.9101 0.0777 0.4878 0.055 Uiso 1 1 calc R . .
C19 C 1.062(6) 0.186(6) 0.480(5) 0.054(17) Uani 1 1 d . . .
H19 H 1.1155 0.1723 0.5315 0.065 Uiso 1 1 calc R . .
C20 C 1.106(6) 0.262(5) 0.431(5) 0.053(17) Uani 1 1 d . . .
H20 H 1.1897 0.3007 0.4490 0.063 Uiso 1 1 calc R . .
C21 C 1.028(6) 0.281(5) 0.355(5) 0.053(17) Uani 1 1 d . . .
H21 H 1.0575 0.3318 0.3207 0.064 Uiso 1 1 calc R . .
C22 C 0.905(5) 0.225(5) 0.330(5) 0.046(15) Uani 1 1 d . . .
H22 H 0.8524 0.2390 0.2778 0.056 Uiso 1 1 calc R . .
C23 C 0.701(5) 0.229(5) 0.447(4) 0.038(13) Uani 1 1 d . . .
C24 C 0.649(5) 0.232(5) 0.511(4) 0.041(13) Uani 1 1 d . . .
H24 H 0.5983 0.1649 0.5194 0.049 Uiso 1 1 calc R . .
C25 C 0.670(6) 0.330(5) 0.560(5) 0.050(16) Uani 1 1 d . . .
H25 H 0.6331 0.3292 0.6018 0.060 Uiso 1 1 calc R . .
C26 C 0.746(6) 0.430(5) 0.550(5) 0.055(17) Uani 1 1 d . . .
H26 H 0.7601 0.4973 0.5842 0.066 Uiso 1 1 calc R . .
C27 C 0.800(6) 0.429(5) 0.489(5) 0.053(16) Uani 1 1 d . . .
H27 H 0.8516 0.4972 0.4820 0.064 Uiso 1 1 calc R . .
C28 C 0.779(6) 0.331(5) 0.439(4) 0.047(15) Uani 1 1 d . . .
H28 H 0.8177 0.3333 0.3985 0.056 Uiso 1 1 calc R . .
C29 C 0.404(5) 0.060(4) 0.287(4) 0.032(12) Uani 1 1 d . . .
C30 C 0.482(6) 0.122(5) 0.166(4) 0.047(15) Uani 1 1 d . . .
H30 H 0.5372 0.0917 0.2029 0.056 Uiso 1 1 calc R . .
C31 C 0.421(8) 0.056(7) 0.065(5) 0.07(2) Uani 1 1 d . . .
H31A H 0.3722 -0.0215 0.0621 0.106 Uiso 1 1 calc R . .
H31B H 0.4814 0.0610 0.0417 0.106 Uiso 1 1 calc R . .
H31C H 0.3694 0.0853 0.0245 0.106 Uiso 1 1 calc R . .
C32 C 0.559(7) 0.244(6) 0.177(6) 0.07(2) Uani 1 1 d . . .
H32A H 0.5111 0.2748 0.1353 0.100 Uiso 1 1 calc R . .
H32B H 0.6260 0.2530 0.1606 0.100 Uiso 1 1 calc R . .
H32C H 0.5910 0.2824 0.2428 0.100 Uiso 1 1 calc R . .
C33 C 0.294(5) 0.021(5) 0.390(4) 0.036(13) Uani 1 1 d . . .
H33 H 0.3614 0.0036 0.4254 0.044 Uiso 1 1 calc R . .
C34 C 0.180(6) -0.087(5) 0.356(5) 0.052(16) Uani 1 1 d . . .
H34A H 0.1106 -0.0734 0.3270 0.077 Uiso 1 1 calc R . .
H34B H 0.1761 -0.1212 0.4094 0.077 Uiso 1 1 calc R . .
H34C H 0.1813 -0.1369 0.3091 0.077 Uiso 1 1 calc R . .
C35 C 0.300(6) 0.107(5) 0.459(4) 0.046(15) Uani 1 1 d . . .
H35A H 0.3713 0.1764 0.4733 0.069 Uiso 1 1 calc R . .
H35B H 0.3035 0.0819 0.5179 0.069 Uiso 1 1 calc R . .
H35C H 0.2285 0.1190 0.4316 0.069 Uiso 1 1 calc R . .
C36 C 0.303(5) 0.134(5) 0.183(4) 0.040(13) Uani 1 1 d . . .
C37 C 0.253(5) 0.108(5) 0.245(4) 0.038(13) Uani 1 1 d . . .
C38 C 0.268(7) 0.186(6) 0.101(5) 0.06(2) Uani 1 1 d . . .
H38A H 0.2022 0.2012 0.0985 0.094 Uiso 1 1 calc R . .
H38B H 0.2431 0.1356 0.0418 0.094 Uiso 1 1 calc R . .
H38C H 0.3369 0.2547 0.1083 0.094 Uiso 1 1 calc R . .
C39 C 0.151(6) 0.126(6) 0.249(5) 0.050(16) Uani 1 1 d . . .
H39A H 0.1826 0.1950 0.2930 0.075 Uiso 1 1 calc R . .
H39B H 0.1025 0.0648 0.2693 0.075 Uiso 1 1 calc R . .
H39C H 0.1015 0.1289 0.1856 0.075 Uiso 1 1 calc R . .
O1 O 0.350(6) 0.399(5) 0.333(6) 0.11(3) Uani 1 1 d . . .
C40 C 0.466(9) 0.405(8) 0.373(8) 0.09(3) Uani 1 1 d . . .
H40A H 0.4643 0.3355 0.3495 0.113 Uiso 1 1 calc R . .
H40B H 0.4968 0.4190 0.4424 0.113 Uiso 1 1 calc R . .
C41 C 0.546(9) 0.499(9) 0.344(9) 0.11(4) Uani 1 1 d . . .
H41A H 0.6194 0.5500 0.3995 0.135 Uiso 1 1 calc R . .
H41B H 0.5699 0.4711 0.2985 0.135 Uiso 1 1 calc R . .
C42 C 0.474(8) 0.554(8) 0.300(8) 0.09(3) Uani 1 1 d . . .
H42A H 0.4885 0.5796 0.2451 0.105 Uiso 1 1 calc R . .
H42B H 0.4915 0.6180 0.3455 0.105 Uiso 1 1 calc R . .
C43 C 0.349(8) 0.470(7) 0.269(6) 0.08(2) Uani 1 1 d . . .
H43A H 0.2972 0.5049 0.2705 0.091 Uiso 1 1 calc R . .
H43B H 0.3175 0.4284 0.2036 0.091 Uiso 1 1 calc R . .
O2 O 0.917(7) 0.118(6) 0.024(6) 0.11(2) Uani 1 1 d . . .
C44 C 0.912(8) 0.209(7) 0.069(7) 0.08(3) Uani 1 1 d . . .
H44A H 0.9259 0.2076 0.1354 0.098 Uiso 1 1 calc R . .
H44B H 0.8329 0.2082 0.0352 0.098 Uiso 1 1 calc R . .
C45 C 1.009(8) 0.308(7) 0.062(8) 0.10(3) Uani 1 1 d . . .
H45A H 0.9859 0.3685 0.0516 0.115 Uiso 1 1 calc R . .
H45B H 1.0840 0.3343 0.1195 0.115 Uiso 1 1 calc R . .
C46 C 1.023(11) 0.268(12) -0.021(10) 0.12(4) Uani 1 1 d . . .
H46A H 1.0038 0.3085 -0.0708 0.150 Uiso 1 1 calc R . .
H46B H 1.1054 0.2786 -0.0025 0.150 Uiso 1 1 calc R . .
C47 C 0.939(12) 0.152(9) -0.053(7) 0.10(4) Uani 1 1 d . . .
H47A H 0.8635 0.1412 -0.1053 0.125 Uiso 1 1 calc R . .
H47B H 0.9730 0.1100 -0.0751 0.125 Uiso 1 1 calc R . .
O3 O 1.024(13) 0.620(12) 0.283(14) 0.14(7) Uani 0.50(15) 1 d PDU A 1
C48 C 0.952(19) 0.60(2) 0.337(15) 0.11(10) Uani 0.50(15) 1 d PDU A 1
H48A H 0.9551 0.6638 0.3664 0.136 Uiso 0.50(15) 1 calc PR A 1
H48B H 0.9788 0.5585 0.3876 0.136 Uiso 0.50(15) 1 calc PR A 1
C49 C 0.823(13) 0.518(14) 0.262(12) 0.08(6) Uani 0.50(15) 1 d PDU A 1
H49A H 0.7778 0.4638 0.2909 0.102 Uiso 0.50(15) 1 calc PR A 1
H49B H 0.7793 0.5611 0.2354 0.102 Uiso 0.50(15) 1 calc PR A 1
C50 C 0.841(14) 0.462(15) 0.187(12) 0.08(6) Uani 0.50(15) 1 d PDU A 1
H50A H 0.7937 0.4676 0.1235 0.099 Uiso 0.50(15) 1 calc PR A 1
H50B H 0.8156 0.3828 0.1877 0.099 Uiso 0.50(15) 1 calc PR A 1
C51 C 0.976(15) 0.520(18) 0.209(15) 0.08(6) Uani 0.50(15) 1 d PDU A 1
H51A H 1.0151 0.4725 0.2331 0.097 Uiso 0.50(15) 1 calc PR A 1
H51B H 0.9890 0.5402 0.1523 0.097 Uiso 0.50(15) 1 calc PR A 1
O3' O 0.946(16) 0.540(12) 0.163(10) 0.11(6) Uani 0.50(15) 1 d PDU A 2
C48' C 0.99(3) 0.648(12) 0.219(16) 0.11(8) Uani 0.50(15) 1 d PDU A 2
H48C H 0.9349 0.6822 0.1857 0.135 Uiso 0.50(15) 1 calc PR A 2
H48D H 1.0693 0.6965 0.2305 0.135 Uiso 0.50(15) 1 calc PR A 2
C49' C 0.98(2) 0.631(14) 0.314(13) 0.08(7) Uani 0.50(15) 1 d PDU A 2
H49C H 0.9329 0.6684 0.3283 0.099 Uiso 0.50(15) 1 calc PR A 2
H49D H 1.0571 0.6597 0.3666 0.099 Uiso 0.50(15) 1 calc PR A 2
C50' C 0.91(2) 0.503(13) 0.299(13) 0.09(7) Uani 0.50(15) 1 d PDU A 2
H50C H 0.9448 0.4772 0.3541 0.105 Uiso 0.50(15) 1 calc PR A 2
H50D H 0.8227 0.4816 0.2895 0.105 Uiso 0.50(15) 1 calc PR A 2
C51' C 0.91(3) 0.455(12) 0.209(13) 0.10(8) Uani 0.50(15) 1 d PDU A 2
H51C H 0.9694 0.4246 0.2267 0.116 Uiso 0.50(15) 1 calc PR A 2
H51D H 0.8318 0.3959 0.1668 0.116 Uiso 0.50(15) 1 calc PR A 2
O4 O 0.516(13) 0.573(10) 0.925(8) 0.10(4) Uani 0.50 1 d PD . .
C52 C 0.42(3) 0.46(2) 0.893(12) 0.12(13) Uani 0.50 1 d PD . .
H52A H 0.4473 0.4195 0.8624 0.150 Uiso 0.50 1 d PR . .
H52B H 0.3472 0.4555 0.8503 0.150 Uiso 0.50 1 d PR . .
C53 C 0.423(16) 0.422(19) 0.986(15) 0.07(7) Uani 0.50 1 d PD . .
H53A H 0.4171 0.3488 0.9846 0.085 Uiso 0.50 1 d PR . .
H53B H 0.3560 0.4227 0.9937 0.085 Uiso 0.50 1 d PR . .
C54 C 0.54(2) 0.509(16) 1.068(11) 0.08(7) Uani 0.50 1 d PD . .
H54A H 0.5797 0.4733 1.1100 0.095 Uiso 0.50 1 d PR . .
H54B H 0.5272 0.5577 1.1042 0.095 Uiso 0.50 1 d PR . .
C55 C 0.61(2) 0.57(2) 1.013(16) 0.08(7) Uani 0.50 1 d PD . .
H55A H 0.6712 0.6458 1.0483 0.091 Uiso 0.50 1 d PR . .
H55B H 0.6529 0.5340 0.9975 0.091 Uiso 0.50 1 d PR . .
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'
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
C4 Si1 C1 91(2) . .
C4 Si1 C29 108(2) . .
C1 Si1 C29 104(2) . .
C29 N1 C36 110(4) . .
C29 N1 C30 122(5) . .
C36 N1 C30 128(5) . .
C29 N2 C37 110(4) . .
C29 N2 C33 122(4) . .
C37 N2 C33 127(4) . .
C2 C1 C23 130(5) . .
C2 C1 Si1 108(4) . .
C23 C1 Si1 122(4) . .
C1 C2 C3 115(5) . .
C1 C2 C17 125(5) . .
C3 C2 C17 120(5) . .
C4 C3 C2 116(5) . .
C4 C3 C11 124(5) . .
C2 C3 C11 120(5) . .
C3 C4 C5 126(5) . .
C3 C4 Si1 107(4) . .
C5 C4 Si1 126(4) . .
C6 C5 C10 116(5) . .
C6 C5 C4 123(5) . .
C10 C5 C4 120(5) . .
C7 C6 C5 121(5) . .
C7 C6 H6 119.3 . .
C5 C6 H6 119.3 . .
C6 C7 C8 121(6) . .
C6 C7 H7 119.4 . .
C8 C7 H7 119.4 . .
C9 C8 C7 118(6) . .
C9 C8 H8 120.8 . .
C7 C8 H8 120.8 . .
C10 C9 C8 121(6) . .
C10 C9 H9 119.7 . .
C8 C9 H9 119.7 . .
C9 C10 C5 122(6) . .
C9 C10 H10 119.0 . .
C5 C10 H10 119.0 . .
C16 C11 C12 118(6) . .
C16 C11 C3 120(5) . .
C12 C11 C3 122(6) . .
C13 C12 C11 121(7) . .
C13 C12 H12 119.3 . .
C11 C12 H12 119.3 . .
C14 C13 C12 120(7) . .
C14 C13 H13 120.1 . .
C12 C13 H13 120.1 . .
C13 C14 C15 120(7) . .
C13 C14 H14 120.1 . .
C15 C14 H14 120.1 . .
C14 C15 C16 120(8) . .
C14 C15 H15 119.8 . .
C16 C15 H15 119.8 . .
C11 C16 C15 120(7) . .
C11 C16 H16 119.8 . .
C15 C16 H16 119.8 . .
C18 C17 C22 118(5) . .
C18 C17 C2 121(5) . .
C22 C17 C2 121(5) . .
C17 C18 C19 121(6) . .
C17 C18 H18 119.4 . .
C19 C18 H18 119.4 . .
C20 C19 C18 120(6) . .
C20 C19 H19 119.9 . .
C18 C19 H19 119.9 . .
C19 C20 C21 120(6) . .
C19 C20 H20 120.2 . .
C21 C20 H20 120.2 . .
C20 C21 C22 120(6) . .
C20 C21 H21 119.9 . .
C22 C21 H21 119.9 . .
C21 C22 C17 121(6) . .
C21 C22 H22 119.4 . .
C17 C22 H22 119.4 . .
C28 C23 C24 116(5) . .
C28 C23 C1 124(5) . .
C24 C23 C1 119(5) . .
C25 C24 C23 122(6) . .
C25 C24 H24 119.1 . .
C23 C24 H24 119.1 . .
C24 C25 C26 121(6) . .
C24 C25 H25 119.6 . .
C26 C25 H25 119.6 . .
C27 C26 C25 119(6) . .
C27 C26 H26 120.7 . .
C25 C26 H26 120.7 . .
C26 C27 C28 121(6) . .
C26 C27 H27 119.5 . .
C28 C27 H27 119.5 . .
C27 C28 C23 121(6) . .
C27 C28 H28 119.4 . .
C23 C28 H28 119.4 . .
N2 C29 N1 105(4) . .
N2 C29 Si1 125(4) . .
N1 C29 Si1 129(4) . .
N1 C30 C31 112(6) . .
N1 C30 C32 112(5) . .
C31 C30 C32 114(6) . .
N1 C30 H30 106.4 . .
C31 C30 H30 106.4 . .
C32 C30 H30 106.4 . .
C30 C31 H31A 109.5 . .
C30 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C30 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C30 C32 H32A 109.5 . .
C30 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C30 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
N2 C33 C35 113(5) . .
N2 C33 C34 111(5) . .
C35 C33 C34 114(5) . .
N2 C33 H33 106.2 . .
C35 C33 H33 106.2 . .
C34 C33 H33 106.2 . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C33 C35 H35A 109.5 . .
C33 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C33 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C37 C36 N1 107(5) . .
C37 C36 C38 128(5) . .
N1 C36 C38 125(5) . .
C36 C37 N2 107(5) . .
C36 C37 C39 128(5) . .
N2 C37 C39 125(5) . .
C36 C38 H38A 109.5 . .
C36 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C36 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C37 C39 H39A 109.5 . .
C37 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C37 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C40 O1 C43 108(7) . .
O1 C40 C41 108(8) . .
O1 C40 H40A 110.1 . .
C41 C40 H40A 110.1 . .
O1 C40 H40B 110.1 . .
C41 C40 H40B 110.1 . .
H40A C40 H40B 108.5 . .
C42 C41 C40 104(9) . .
C42 C41 H41A 110.9 . .
C40 C41 H41A 110.9 . .
C42 C41 H41B 110.9 . .
C40 C41 H41B 110.9 . .
H41A C41 H41B 108.9 . .
C41 C42 C43 105(8) . .
C41 C42 H42A 110.7 . .
C43 C42 H42A 110.7 . .
C41 C42 H42B 110.7 . .
C43 C42 H42B 110.7 . .
H42A C42 H42B 108.8 . .
O1 C43 C42 106(7) . .
O1 C43 H43A 110.5 . .
C42 C43 H43A 110.5 . .
O1 C43 H43B 110.5 . .
C42 C43 H43B 110.5 . .
H43A C43 H43B 108.7 . .
C47 O2 C44 103(8) . .
O2 C44 C45 104(7) . .
O2 C44 H44A 110.9 . .
C45 C44 H44A 110.9 . .
O2 C44 H44B 110.9 . .
C45 C44 H44B 110.9 . .
H44A C44 H44B 108.9 . .
C46 C45 C44 104(8) . .
C46 C45 H45A 111.0 . .
C44 C45 H45A 111.0 . .
C46 C45 H45B 111.0 . .
C44 C45 H45B 111.0 . .
H45A C45 H45B 109.0 . .
C47 C46 C45 106(8) . .
C47 C46 H46A 110.6 . .
C45 C46 H46A 110.6 . .
C47 C46 H46B 110.6 . .
C45 C46 H46B 110.6 . .
H46A C46 H46B 108.8 . .
O2 C47 C46 107(8) . .
O2 C47 H47A 110.4 . .
C46 C47 H47A 110.4 . .
O2 C47 H47B 110.4 . .
C46 C47 H47B 110.4 . .
H47A C47 H47B 108.6 . .
C48 O3 C51 109(10) . .
O3 C48 C49 104(10) . .
O3 C48 H48A 111.0 . .
C49 C48 H48A 111.0 . .
O3 C48 H48B 111.0 . .
C49 C48 H48B 111.0 . .
H48A C48 H48B 109.0 . .
C50 C49 C48 105(10) . .
C50 C49 H49A 110.8 . .
C48 C49 H49A 110.8 . .
C50 C49 H49B 110.8 . .
C48 C49 H49B 110.8 . .
H49A C49 H49B 108.9 . .
C49 C50 C51 107(9) . .
C49 C50 H50A 110.3 . .
C51 C50 H50A 110.2 . .
C49 C50 H50B 110.3 . .
C51 C50 H50B 110.3 . .
H50A C50 H50B 108.5 . .
O3 C51 C50 104(9) . .
O3 C51 H51A 111.0 . .
C50 C51 H51A 111.0 . .
O3 C51 H51B 111.0 . .
C50 C51 H51B 111.1 . .
H51A C51 H51B 109.0 . .
C51' O3' C48' 112(10) . .
O3' C48' C49' 108(9) . .
O3' C48' H48C 110.2 . .
C49' C48' H48C 110.2 . .
O3' C48' H48D 110.1 . .
C49' C48' H48D 110.1 . .
H48C C48' H48D 108.5 . .
C48' C49' C50' 104(9) . .
C48' C49' H49C 110.9 . .
C50' C49' H49C 110.9 . .
C48' C49' H49D 110.9 . .
C50' C49' H49D 110.9 . .
H49C C49' H49D 108.9 . .
C51' C50' C49' 105(9) . .
C51' C50' H50C 110.8 . .
C49' C50' H50C 110.8 . .
C51' C50' H50D 110.8 . .
C49' C50' H50D 110.8 . .
H50C C50' H50D 108.9 . .
O3' C51' C50' 108(10) . .
O3' C51' H51C 110.1 . .
C50' C51' H51C 110.0 . .
O3' C51' H51D 110.0 . .
C50' C51' H51D 110.0 . .
H51C C51' H51D 108.4 . .
C54 O4 C53 80(10) 2_667 2_667
C54 O4 C52 23(10) 2_667 .
C53 O4 C52 102(10) 2_667 .
C54 O4 C55 85(10) 2_667 .
C53 O4 C55 20(10) 2_667 .
C52 O4 C55 105(10) . .
C54 C52 O4 47(10) 2_667 .
C54 C52 C53 59(10) 2_667 .
O4 C52 C53 105(10) . .
C54 C52 C55 64(10) 2_667 2_667
O4 C52 C55 108(10) . 2_667
C53 C52 C55 18(10) . 2_667
C54 C52 H52A 116.2 2_667 .
O4 C52 H52A 107.3 . .
C53 C52 H52A 107.1 . .
C55 C52 H52A 121.6 2_667 .
C54 C52 H52B 134.4 2_667 .
O4 C52 H52B 113.6 . .
C53 C52 H52B 114.3 . .
C55 C52 H52B 98.0 2_667 .
H52A C52 H52B 108.9 . .
C55 C53 O4 103(10) 2_667 2_667
C55 C53 C54 102(10) 2_667 2_667
O4 C53 C54 128(10) 2_667 2_667
C55 C53 C54 108(10) 2_667 .
O4 C53 C54 44(10) 2_667 .
C54 C53 C54 84(10) 2_667 .
C55 C53 C52 98(10) 2_667 .
O4 C53 C52 148(10) 2_667 .
C54 C53 C52 22(10) 2_667 .
C54 C53 C52 106(10) . .
C55 C53 H53A 117.4 2_667 .
O4 C53 H53A 77.8 2_667 .
C54 C53 H53A 127.3 2_667 .
C54 C53 H53A 112.1 . .
C52 C53 H53A 113.7 . .
C55 C53 H53B 10.0 2_667 .
O4 C53 H53B 95.8 2_667 .
C54 C53 H53B 112.1 2_667 .
C54 C53 H53B 108.9 . .
C52 C53 H53B 106.8 . .
H53A C53 H53B 108.9 . .
C52 C54 O4 110(10) 2_667 2_667
C52 C54 C53 99(10) 2_667 2_667
O4 C54 C53 150(10) 2_667 2_667
C52 C54 C55 95(10) 2_667 .
O4 C54 C55 145(10) 2_667 .
C53 C54 C55 20(10) 2_667 .
C52 C54 C53 163(10) 2_667 .
O4 C54 C53 56(10) 2_667 .
C53 C54 C53 96(10) 2_667 .
C55 C54 C53 101(10) . .
C52 C54 C55 150(10) 2_667 2_667
O4 C54 C55 57(10) 2_667 2_667
C53 C54 C55 99(10) 2_667 2_667
C55 C54 C55 109(10) . 2_667
C53 C54 C55 16(10) . 2_667
C52 C54 C54 150(10) 2_667 2_667
O4 C54 C54 99(10) 2_667 2_667
C53 C54 C54 52(10) 2_667 2_667
C55 C54 C54 60(10) . 2_667
C53 C54 C54 44(10) . 2_667
C55 C54 C54 49(10) 2_667 2_667
C52 C54 H54A 65.3 2_667 .
O4 C54 H54A 62.4 2_667 .
C53 C54 H54A 131.0 2_667 .
C55 C54 H54A 112.0 . .
C53 C54 H54A 110.3 . .
C55 C54 H54A 118.0 2_667 .
C54 C54 H54A 136.9 2_667 .
C52 C54 H54B 56.9 2_667 .
O4 C54 H54B 102.9 2_667 .
C53 C54 H54B 96.5 2_667 .
C55 C54 H54B 110.8 . .
C53 C54 H54B 113.2 . .
C55 C54 H54B 96.8 2_667 .
C54 C54 H54B 113.0 2_667 .
H54A C54 H54B 109.1 . .
C53 C55 O4 57(10) 2_667 .
C53 C55 C54 58(10) 2_667 .
O4 C55 C54 102(10) . .
C53 C55 C52 64(10) 2_667 2_667
O4 C55 C52 117(10) . 2_667
C54 C55 C52 20(10) . 2_667
C53 C55 C54 55(10) 2_667 2_667
O4 C55 C54 38(10) . 2_667
C54 C55 C54 71(10) . 2_667
C52 C55 C54 90(10) 2_667 2_667
C53 C55 H55A 93.4 2_667 .
O4 C55 H55A 111.1 . .
C54 C55 H55A 111.8 . .
C52 C55 H55A 92.8 2_667 .
C54 C55 H55A 142.9 2_667 .
C53 C55 H55B 156.9 2_667 .
O4 C55 H55B 110.6 . .
C54 C55 H55B 111.3 . .
C52 C55 H55B 113.9 2_667 .
C54 C55 H55B 102.7 2_667 .
H55A C55 H55B 109.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 C4 1.86(5) .
Si1 C1 1.87(6) .
Si1 C29 1.92(5) .
N1 C29 1.36(7) .
N1 C36 1.39(7) .
N1 C30 1.48(7) .
N2 C29 1.36(6) .
N2 C37 1.40(7) .
N2 C33 1.49(7) .
C1 C2 1.38(7) .
C1 C23 1.48(8) .
C2 C3 1.47(8) .
C2 C17 1.50(7) .
C3 C4 1.39(7) .
C3 C11 1.49(7) .
C4 C5 1.48(8) .
C5 C6 1.41(8) .
C5 C10 1.41(8) .
C6 C7 1.38(8) .
C6 H6 0.9500 .
C7 C8 1.39(9) .
C7 H7 0.9500 .
C8 C9 1.39(9) .
C8 H8 0.9500 .
C9 C10 1.38(8) .
C9 H9 0.9500 .
C10 H10 0.9500 .
C11 C16 1.39(9) .
C11 C12 1.40(8) .
C12 C13 1.39(9) .
C12 H12 0.9500 .
C13 C14 1.38(12) .
C13 H13 0.9500 .
C14 C15 1.38(12) .
C14 H14 0.9500 .
C15 C16 1.40(9) .
C15 H15 0.9500 .
C16 H16 0.9500 .
C17 C18 1.39(8) .
C17 C22 1.39(8) .
C18 C19 1.39(9) .
C18 H18 0.9500 .
C19 C20 1.38(10) .
C19 H19 0.9500 .
C20 C21 1.38(10) .
C20 H20 0.9500 .
C21 C22 1.39(8) .
C21 H21 0.9500 .
C22 H22 0.9500 .
C23 C28 1.41(8) .
C23 C24 1.41(8) .
C24 C25 1.38(8) .
C24 H24 0.9500 .
C25 C26 1.39(9) .
C25 H25 0.9500 .
C26 C27 1.39(9) .
C26 H26 0.9500 .
C27 C28 1.39(9) .
C27 H27 0.9500 .
C28 H28 0.9500 .
C30 C31 1.52(9) .
C30 C32 1.53(10) .
C30 H30 1.0000 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 C35 1.52(8) .
C33 C34 1.53(8) .
C33 H33 1.0000 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 C37 1.35(8) .
C36 C38 1.50(8) .
C37 C39 1.50(8) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
O1 C40 1.42(11) .
O1 C43 1.42(10) .
C40 C41 1.51(13) .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C41 C42 1.46(13) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C42 C43 1.48(12) .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
O2 C47 1.39(11) .
O2 C44 1.44(10) .
C44 C45 1.50(12) .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C45 C46 1.47(15) .
C45 H45A 0.9900 .
C45 H45B 0.9900 .
C46 C47 1.45(15) .
C46 H46A 0.9900 .
C46 H46B 0.9900 .
C47 H47A 0.9900 .
C47 H47B 0.9900 .
O3 C48 1.46(16) .
O3 C51 1.49(15) .
C48 C49 1.56(16) .
C48 H48A 0.9900 .
C48 H48B 0.9900 .
C49 C50 1.53(15) .
C49 H49A 0.9900 .
C49 H49B 0.9900 .
C50 C51 1.55(15) .
C50 H50A 0.9900 .
C50 H50B 0.9900 .
C51 H51A 0.9900 .
C51 H51B 0.9900 .
O3' C51' 1.40(14) .
O3' C48' 1.46(15) .
C48' C49' 1.55(16) .
C48' H48C 0.9900 .
C48' H48D 0.9900 .
C49' C50' 1.57(16) .
C49' H49C 0.9900 .
C49' H49D 0.9900 .
C50' C51' 1.56(16) .
C50' H50C 0.9900 .
C50' H50D 0.9900 .
C51' H51C 0.9900 .
C51' H51D 0.9900 .
O4 C54 1.1(2) 2_667
O4 C53 1.3(2) 2_667
O4 C52 1.4(2) .
O4 C55 1.5(2) .
C52 C54 0.6(3) 2_667
C52 C53 1.57(17) .
C52 C55 1.7(4) 2_667
C52 H52A 0.9601 .
C52 H52B 0.9600 .
C53 C55 0.5(3) 2_667
C53 O4 1.3(2) 2_667
C53 C54 1.4(3) 2_667
C53 C54 1.56(17) .
C53 H53A 0.9601 .
C53 H53B 0.9599 .
C54 C52 0.6(3) 2_667
C54 O4 1.1(2) 2_667
C54 C53 1.4(3) 2_667
C54 C55 1.56(17) .
C54 C55 1.8(4) 2_667
C54 C54 2.0(3) 2_667
C54 H54A 0.9600 .
C54 H54B 0.9600 .
C55 C53 0.5(3) 2_667
C55 C52 1.7(4) 2_667
C55 C54 1.8(4) 2_667
C55 H55A 0.9600 .
C55 H55B 0.9599 .
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_4
C4 Si1 C1 C2 -14(4) . .
C29 Si1 C1 C2 -123(4) . .
C4 Si1 C1 C23 170(5) . .
C29 Si1 C1 C23 61(5) . .
C23 C1 C2 C3 -176(5) . .
Si1 C1 C2 C3 9(6) . .
C23 C1 C2 C17 9(10) . .
Si1 C1 C2 C17 -166(5) . .
C1 C2 C3 C4 3(7) . .
C17 C2 C3 C4 179(5) . .
C1 C2 C3 C11 -172(5) . .
C17 C2 C3 C11 4(8) . .
C2 C3 C4 C5 175(5) . .
C11 C3 C4 C5 -10(9) . .
C2 C3 C4 Si1 -14(6) . .
C11 C3 C4 Si1 161(5) . .
C1 Si1 C4 C3 16(4) . .
C29 Si1 C4 C3 120(4) . .
C1 Si1 C4 C5 -173(5) . .
C29 Si1 C4 C5 -69(5) . .
C3 C4 C5 C6 -34(9) . .
Si1 C4 C5 C6 157(5) . .
C3 C4 C5 C10 152(6) . .
Si1 C4 C5 C10 -17(7) . .
C10 C5 C6 C7 -2(8) . .
C4 C5 C6 C7 -176(6) . .
C5 C6 C7 C8 1(10) . .
C6 C7 C8 C9 1(10) . .
C7 C8 C9 C10 -1(10) . .
C8 C9 C10 C5 0(10) . .
C6 C5 C10 C9 1(8) . .
C4 C5 C10 C9 176(5) . .
C4 C3 C11 C16 -61(8) . .
C2 C3 C11 C16 114(6) . .
C4 C3 C11 C12 119(6) . .
C2 C3 C11 C12 -67(7) . .
C16 C11 C12 C13 0(9) . .
C3 C11 C12 C13 -180(6) . .
C11 C12 C13 C14 0(10) . .
C12 C13 C14 C15 0(11) . .
C13 C14 C15 C16 0(11) . .
C12 C11 C16 C15 1(9) . .
C3 C11 C16 C15 -180(6) . .
C14 C15 C16 C11 -1(10) . .
C1 C2 C17 C18 90(7) . .
C3 C2 C17 C18 -85(7) . .
C1 C2 C17 C22 -91(7) . .
C3 C2 C17 C22 94(7) . .
C22 C17 C18 C19 1(9) . .
C2 C17 C18 C19 -180(6) . .
C17 C18 C19 C20 0(10) . .
C18 C19 C20 C21 -1(10) . .
C19 C20 C21 C22 1(10) . .
C20 C21 C22 C17 0(10) . .
C18 C17 C22 C21 -1(9) . .
C2 C17 C22 C21 -180(6) . .
C2 C1 C23 C28 37(9) . .
Si1 C1 C23 C28 -149(5) . .
C2 C1 C23 C24 -150(6) . .
Si1 C1 C23 C24 25(7) . .
C28 C23 C24 C25 2(9) . .
C1 C23 C24 C25 -172(6) . .
C23 C24 C25 C26 -1(10) . .
C24 C25 C26 C27 0(10) . .
C25 C26 C27 C28 0(11) . .
C26 C27 C28 C23 1(10) . .
C24 C23 C28 C27 -2(9) . .
C1 C23 C28 C27 172(6) . .
C37 N2 C29 N1 1(6) . .
C33 N2 C29 N1 179(4) . .
C37 N2 C29 Si1 -180(4) . .
C33 N2 C29 Si1 -1(7) . .
C36 N1 C29 N2 0(6) . .
C30 N1 C29 N2 176(5) . .
C36 N1 C29 Si1 -180(4) . .
C30 N1 C29 Si1 -3(8) . .
C4 Si1 C29 N2 141(4) . .
C1 Si1 C29 N2 -124(5) . .
C4 Si1 C29 N1 -40(6) . .
C1 Si1 C29 N1 56(5) . .
C29 N1 C30 C31 119(6) . .
C36 N1 C30 C31 -65(8) . .
C29 N1 C30 C32 -113(6) . .
C36 N1 C30 C32 63(8) . .
C29 N2 C33 C35 124(5) . .
C37 N2 C33 C35 -58(7) . .
C29 N2 C33 C34 -107(6) . .
C37 N2 C33 C34 72(7) . .
C29 N1 C36 C37 0(6) . .
C30 N1 C36 C37 -176(5) . .
C29 N1 C36 C38 179(6) . .
C30 N1 C36 C38 3(10) . .
N1 C36 C37 N2 0(6) . .
C38 C36 C37 N2 -179(6) . .
N1 C36 C37 C39 179(6) . .
C38 C36 C37 C39 -1(11) . .
C29 N2 C37 C36 -1(6) . .
C33 N2 C37 C36 -179(5) . .
C29 N2 C37 C39 -179(5) . .
C33 N2 C37 C39 2(9) . .
C43 O1 C40 C41 9(12) . .
O1 C40 C41 C42 9(13) . .
C40 C41 C42 C43 -23(12) . .
C40 O1 C43 C42 -24(10) . .
C41 C42 C43 O1 30(11) . .
C47 O2 C44 C45 -40(10) . .
O2 C44 C45 C46 25(11) . .
C44 C45 C46 C47 -2(12) . .
C44 O2 C47 C46 39(12) . .
C45 C46 C47 O2 -23(13) . .
C51 O3 C48 C49 -36(26) . .
O3 C48 C49 C50 27(26) . .
C48 C49 C50 C51 -9(26) . .
C48 O3 C51 C50 30(25) . .
C49 C50 C51 O3 -11(25) . .
C51' O3' C48' C49' 0(33) . .
O3' C48' C49' C50' -10(29) . .
C48' C49' C50' C51' 15(26) . .
C48' O3' C51' C50' 10(32) . .
C49' C50' C51' O3' -16(28) . .
C53 O4 C52 C54 12(79) 2_667 2_667
C55 O4 C52 C54 32(77) . 2_667
C54 O4 C52 C53 4(54) 2_667 .
C53 O4 C52 C53 15(35) 2_667 .
C55 O4 C52 C53 36(30) . .
C54 O4 C52 C55 22(56) 2_667 2_667
C53 O4 C52 C55 34(32) 2_667 2_667
C55 O4 C52 C55 55(31) . 2_667
C54 C52 C53 C55 103(65) 2_667 2_667
O4 C52 C53 C55 100(47) . 2_667
C54 C52 C53 O4 -26(100) 2_667 2_667
O4 C52 C53 O4 -30(68) . 2_667
C55 C52 C53 O4 -130(92) 2_667 2_667
O4 C52 C53 C54 -3(46) . 2_667
C55 C52 C53 C54 -103(66) 2_667 2_667
C54 C52 C53 C54 -9(82) 2_667 .
O4 C52 C53 C54 -12(41) . .
C55 C52 C53 C54 -112(66) 2_667 .
C55 C53 C54 C52 50(100) 2_667 2_667
O4 C53 C54 C52 -39(100) 2_667 2_667
C54 C53 C54 C52 150(100) 2_667 2_667
C52 C53 C54 C52 154(100) . 2_667
C55 C53 C54 O4 89(50) 2_667 2_667
C54 C53 C54 O4 -170(28) 2_667 2_667
C52 C53 C54 O4 -167(25) . 2_667
C55 C53 C54 C53 -101(48) 2_667 2_667
O4 C53 C54 C53 170(28) 2_667 2_667
C54 C53 C54 C53 0.000(16) 2_667 2_667
C52 C53 C54 C53 3(30) . 2_667
C55 C53 C54 C55 -120(41) 2_667 .
O4 C53 C54 C55 151(27) 2_667 .
C54 C53 C54 C55 -19(16) 2_667 .
C52 C53 C54 C55 -16(37) . .
O4 C53 C54 C55 -89(50) 2_667 2_667
C54 C53 C54 C55 101(48) 2_667 2_667
C52 C53 C54 C55 104(55) . 2_667
C55 C53 C54 C54 -101(48) 2_667 2_667
O4 C53 C54 C54 170(28) 2_667 2_667
C52 C53 C54 C54 3(30) . 2_667
C54 O4 C55 C53 -74(59) 2_667 2_667
C52 O4 C55 C53 -86(52) . 2_667
C54 O4 C55 C54 -34(27) 2_667 .
C53 O4 C55 C54 39(44) 2_667 .
C52 O4 C55 C54 -47(20) . .
C54 O4 C55 C52 -49(26) 2_667 2_667
C53 O4 C55 C52 25(41) 2_667 2_667
C52 O4 C55 C52 -61(30) . 2_667
C53 O4 C55 C54 74(59) 2_667 2_667
C52 O4 C55 C54 -12(25) . 2_667
C52 C54 C55 C53 -102(65) 2_667 2_667
O4 C54 C55 C53 120(77) 2_667 2_667
C53 C54 C55 C53 75(64) . 2_667
C55 C54 C55 C53 60(54) 2_667 2_667
C54 C54 C55 C53 60(54) 2_667 2_667
C52 C54 C55 O4 -140(60) 2_667 .
O4 C54 C55 O4 81(47) 2_667 .
C53 C54 C55 O4 -39(45) 2_667 .
C53 C54 C55 O4 36(27) . .
C55 C54 C55 O4 21(18) 2_667 .
C54 C54 C55 O4 21(18) 2_667 .
O4 C54 C55 C52 -138(95) 2_667 2_667
C53 C54 C55 C52 102(65) 2_667 2_667
C53 C54 C55 C52 177(76) . 2_667
C55 C54 C55 C52 162(73) 2_667 2_667
C54 C54 C55 C52 162(73) 2_667 2_667
C52 C54 C55 C54 -162(73) 2_667 2_667
O4 C54 C55 C54 60(33) 2_667 2_667
C53 C54 C55 C54 -60(54) 2_667 2_667
C53 C54 C55 C54 15(14) . 2_667
C55 C54 C55 C54 -0.001(13) 2_667 2_667
