#------------------------------------------------------------------------------
#$Date: 2025-08-18 16:30:32 +0300 (Mon, 18 Aug 2025) $
#$Revision: 301775 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/50/62/1506204.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_1506204
loop_
_publ_author_name
'Kondo, Shin-Ichi'
'Harada, Tomomi'
'Tanaka, Ryoji'
'Unno, Masafumi'
_publ_section_title
;
 Anion recognition by a silanediol-based receptor.
;
_journal_issue                   20
_journal_name_full               'Organic letters'
_journal_page_first              4621
_journal_page_last               4624
_journal_paper_doi               10.1021/ol061822p
_journal_volume                  8
_journal_year                    2006
_chemical_formula_sum            'C38 H54 Cl7 N O2 Si'
_chemical_formula_weight         833.11
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 108.170(6)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   13.328(7)
_cell_length_b                   22.154(8)
_cell_length_c                   15.638(6)
_cell_measurement_reflns_used    458
_cell_measurement_temperature    173.2
_cell_measurement_theta_max      32.6
_cell_measurement_theta_min      2.3
_cell_volume                     4387(3)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9865
_diffrn_measured_fraction_theta_max 0.9865
_diffrn_measurement_device_type  'Rigaku RAXIS-IV Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.020
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            32614
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_exptl_absorpt_coefficient_mu    0.511
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.261
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.99
_refine_diff_density_min         -1.29
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.774
_refine_ls_number_parameters     458
_refine_ls_number_reflns         9928
_refine_ls_R_factor_gt           0.0793
_refine_ls_shift/su_max          0.0135
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²) + (0.09000(Max(Fo²,0) + 2Fc²)/3)²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2238
_reflns_number_gt                9175
_reflns_number_total             9955
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ol061822psi20060724_091750.cif
_cod_data_source_block           Np2Si(OH)2
_cod_original_formula_sum        'C38 H54 Cl7 N O2 Si '
_cod_database_code               1506204
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2+x,1/2-y,1/2+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_calc_flag
Cl(1) Cl 0.34364(5) -0.22105(3) -0.53228(4) 0.0389(2) Uani 1.00 d
Cl(2) Cl 0.5310(2) -0.14820(8) -0.7159(2) 0.202(1) Uani 1.00 d
Cl(3) Cl 0.4166(1) -0.25608(7) -0.7627(1) 0.1069(5) Uani 1.00 d
Cl(4) Cl 0.5861(2) -0.2534(1) -0.5988(1) 0.1669(8) Uani 1.00 d
Cl(5) Cl 0.36991(10) -0.03283(5) -0.41080(6) 0.0792(3) Uani 1.00 d
Cl(6) Cl 0.17831(9) -0.05069(5) -0.55919(9) 0.0871(4) Uani 1.00 d
Cl(7) Cl 0.38208(9) -0.05056(5) -0.58930(7) 0.0741(3) Uani 1.00 d
Si(1) Si 0.27077(5) -0.37171(3) -0.45994(4) 0.0295(2) Uani 1.00 d
O(1) O 0.3722(1) -0.36300(9) -0.4966(1) 0.0465(5) Uani 1.00 d
O(2) O 0.2266(1) -0.30619(8) -0.4399(1) 0.0393(5) Uani 1.00 d
N(1) N 0.0350(1) -0.25607(8) -0.7399(1) 0.0301(4) Uani 1.00 d
C(1) C 0.3122(2) -0.4124(1) -0.3490(2) 0.0380(6) Uani 1.00 d
C(2) C 0.2726(2) -0.3923(1) -0.2828(2) 0.0455(7) Uani 1.00 d
C(3) C 0.2947(3) -0.4223(2) -0.1984(2) 0.0625(9) Uani 1.00 d
C(4) C 0.3566(3) -0.4714(2) -0.1807(2) 0.074(1) Uani 1.00 d
C(5) C 0.4025(3) -0.4947(1) -0.2462(3) 0.0657(9) Uani 1.00 d
C(6) C 0.4673(4) -0.5461(2) -0.2280(4) 0.092(1) Uani 1.00 d
C(7) C 0.5059(4) -0.5694(2) -0.2919(4) 0.097(2) Uani 1.00 d
C(8) C 0.4829(3) -0.5413(1) -0.3784(3) 0.075(1) Uani 1.00 d
C(9) C 0.4208(2) -0.4903(1) -0.3971(2) 0.0549(8) Uani 1.00 d
C(10) C 0.3781(2) -0.4649(1) -0.3307(2) 0.0450(6) Uani 1.00 d
C(11) C 0.1670(2) -0.41600(9) -0.5450(2) 0.0322(5) Uani 1.00 d
C(12) C 0.1963(2) -0.4494(1) -0.6078(2) 0.0408(6) Uani 1.00 d
C(13) C 0.1242(3) -0.4874(1) -0.6711(2) 0.0507(8) Uani 1.00 d
C(14) C 0.0231(2) -0.4915(1) -0.6716(2) 0.0494(7) Uani 1.00 d
C(15) C -0.0143(2) -0.45815(9) -0.6098(2) 0.0386(6) Uani 1.00 d
C(16) C -0.1206(2) -0.4612(1) -0.6115(2) 0.0491(7) Uani 1.00 d
C(17) C -0.1550(2) -0.4278(1) -0.5534(2) 0.0524(8) Uani 1.00 d
C(18) C -0.0841(2) -0.3904(1) -0.4901(2) 0.0476(7) Uani 1.00 d
C(19) C 0.0194(2) -0.3862(1) -0.4862(2) 0.0367(6) Uani 1.00 d
C(20) C 0.0589(2) -0.42007(9) -0.5464(1) 0.0313(5) Uani 1.00 d
C(21) C 0.0561(2) -0.2463(1) -0.6399(2) 0.0363(5) Uani 1.00 d
C(22) C -0.0167(2) -0.2032(1) -0.6137(2) 0.0484(7) Uani 1.00 d
C(23) C 0.0143(3) -0.1989(1) -0.5113(2) 0.0555(8) Uani 1.00 d
C(24) C -0.0605(4) -0.1608(2) -0.4807(3) 0.089(1) Uani 1.00 d
C(25) C 0.0489(2) -0.19806(10) -0.7875(2) 0.0351(5) Uani 1.00 d
C(26) C 0.1582(2) -0.1697(1) -0.7531(2) 0.0488(7) Uani 1.00 d
C(27) C 0.1641(3) -0.1133(1) -0.8066(3) 0.0637(9) Uani 1.00 d
C(28) C 0.1598(3) -0.1245(2) -0.9018(3) 0.093(1) Uani 1.00 d
C(29) C 0.1129(2) -0.3044(1) -0.7481(2) 0.0365(6) Uani 1.00 d
C(30) C 0.1107(2) -0.3196(1) -0.8432(2) 0.0446(7) Uani 1.00 d
C(31) C 0.1853(3) -0.3718(1) -0.8411(3) 0.0607(9) Uani 1.00 d
C(32) C 0.1930(4) -0.3864(2) -0.9332(3) 0.083(1) Uani 1.00 d
C(33) C -0.0783(2) -0.2767(1) -0.7858(1) 0.0322(5) Uani 1.00 d
C(34) C -0.1097(2) -0.3355(1) -0.7510(2) 0.0426(6) Uani 1.00 d
C(35) C -0.2279(2) -0.3474(1) -0.7960(2) 0.0494(7) Uani 1.00 d
C(36) C -0.2971(3) -0.3072(2) -0.7630(3) 0.068(1) Uani 1.00 d
C(37) C 0.4869(3) -0.2101(2) -0.6735(3) 0.073(1) Uani 1.00 d
C(38) C 0.3128(3) -0.0691(1) -0.5150(2) 0.0557(9) Uani 1.00 d
H(1) H 0.384(3) -0.327(2) -0.510(2) 0.060(10) Uiso 1.00 calc
H(2) H 0.246(3) -0.285(2) -0.461(3) 0.06(1) Uiso 1.00 calc
H(3) H 0.2293 -0.3572 -0.2938 0.0537 Uiso 1.00 calc
H(4) H 0.2641 -0.4080 -0.1541 0.0750 Uiso 1.00 calc
H(5) H 0.3706 -0.4910 -0.1241 0.0866 Uiso 1.00 calc
H(6) H 0.4840 -0.5649 -0.1700 0.1108 Uiso 1.00 calc
H(7) H 0.5475 -0.6048 -0.2800 0.1147 Uiso 1.00 calc
H(8) H 0.5113 -0.5584 -0.4231 0.0934 Uiso 1.00 calc
H(9) H 0.4053 -0.4713 -0.4551 0.0650 Uiso 1.00 calc
H(10) H 0.2673 -0.4462 -0.6088 0.0492 Uiso 1.00 calc
H(11) H 0.1474 -0.5106 -0.7126 0.0585 Uiso 1.00 calc
H(12) H -0.0249 -0.5172 -0.7139 0.0591 Uiso 1.00 calc
H(13) H -0.1682 -0.4872 -0.6543 0.0585 Uiso 1.00 calc
H(14) H -0.2279 -0.4297 -0.5558 0.0625 Uiso 1.00 calc
H(15) H -0.1091 -0.3680 -0.4486 0.0575 Uiso 1.00 calc
H(16) H 0.0662 -0.3601 -0.4424 0.0435 Uiso 1.00 calc
H(17) H 0.0510 -0.2846 -0.6133 0.0442 Uiso 1.00 calc
H(18) H 0.1262 -0.2315 -0.6152 0.0442 Uiso 1.00 calc
H(19) H -0.0123 -0.1643 -0.6383 0.0584 Uiso 1.00 calc
H(20) H -0.0881 -0.2172 -0.6374 0.0584 Uiso 1.00 calc
H(21) H 0.0161 -0.2392 -0.4873 0.0674 Uiso 1.00 calc
H(22) H 0.0837 -0.1824 -0.4888 0.0674 Uiso 1.00 calc
H(23) H -0.0629 -0.1210 -0.5027 0.1064 Uiso 1.00 calc
H(24) H -0.0402 -0.1597 -0.4160 0.1064 Uiso 1.00 calc
H(25) H -0.1308 -0.1777 -0.5018 0.1064 Uiso 1.00 calc
H(26) H -0.0012 -0.1693 -0.7804 0.0424 Uiso 1.00 calc
H(27) H 0.0341 -0.2066 -0.8500 0.0424 Uiso 1.00 calc
H(28) H 0.1745 -0.1600 -0.6907 0.0593 Uiso 1.00 calc
H(29) H 0.2102 -0.1979 -0.7594 0.0593 Uiso 1.00 calc
H(30) H 0.1057 -0.0877 -0.8062 0.0771 Uiso 1.00 calc
H(31) H 0.2279 -0.0921 -0.7763 0.0771 Uiso 1.00 calc
H(32) H 0.1618 -0.0875 -0.9320 0.1131 Uiso 1.00 calc
H(33) H 0.0958 -0.1453 -0.9328 0.1131 Uiso 1.00 calc
H(34) H 0.2180 -0.1489 -0.9031 0.1131 Uiso 1.00 calc
H(35) H 0.1828 -0.2904 -0.7163 0.0441 Uiso 1.00 calc
H(36) H 0.0997 -0.3402 -0.7202 0.0441 Uiso 1.00 calc
H(37) H 0.1310 -0.2855 -0.8710 0.0545 Uiso 1.00 calc
H(38) H 0.0407 -0.3312 -0.8780 0.0545 Uiso 1.00 calc
H(39) H 0.1629 -0.4066 -0.8163 0.0736 Uiso 1.00 calc
H(40) H 0.2550 -0.3610 -0.8023 0.0736 Uiso 1.00 calc
H(41) H 0.2156 -0.3517 -0.9591 0.1024 Uiso 1.00 calc
H(42) H 0.1231 -0.3970 -0.9732 0.1024 Uiso 1.00 calc
H(43) H 0.2388 -0.4188 -0.9321 0.1024 Uiso 1.00 calc
H(44) H -0.0884 -0.2812 -0.8483 0.0386 Uiso 1.00 calc
H(45) H -0.1245 -0.2460 -0.7774 0.0386 Uiso 1.00 calc
H(46) H -0.0693 -0.3679 -0.7646 0.0506 Uiso 1.00 calc
H(47) H -0.0946 -0.3334 -0.6875 0.0506 Uiso 1.00 calc
H(48) H -0.2445 -0.3422 -0.8594 0.0601 Uiso 1.00 calc
H(49) H -0.2434 -0.3884 -0.7845 0.0601 Uiso 1.00 calc
H(50) H -0.2840 -0.2661 -0.7748 0.0808 Uiso 1.00 calc
H(51) H -0.2833 -0.3124 -0.7002 0.0808 Uiso 1.00 calc
H(52) H -0.3697 -0.3160 -0.7932 0.0808 Uiso 1.00 calc
H(53) H 0.449(4) -0.199(2) -0.629(3) 0.09(1) Uiso 1.00 calc
H(54) H 0.319(3) -0.118(2) -0.509(3) 0.066(10) Uiso 1.00 calc
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Si Si 0.082 0.070
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Cl Cl 0.148 0.159
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
N N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
O(1) Si(1) O(2) 110.5(1) yes
O(1) Si(1) C(1) 110.1(1) yes
O(1) Si(1) C(11) 108.7(1) yes
O(2) Si(1) C(1) 105.6(1) yes
O(2) Si(1) C(11) 111.82(10) yes
C(1) Si(1) C(11) 110.14(10) yes
C(21) N(1) C(25) 111.9(2) yes
C(21) N(1) C(29) 105.9(2) yes
C(21) N(1) C(33) 111.4(2) yes
C(25) N(1) C(29) 111.2(2) yes
C(25) N(1) C(33) 106.0(2) yes
C(29) N(1) C(33) 110.5(2) yes
Si(1) C(1) C(2) 117.9(2) yes
Si(1) C(1) C(10) 124.1(2) yes
C(2) C(1) C(10) 117.8(2) yes
C(1) C(2) C(3) 122.0(3) yes
C(2) C(3) C(4) 120.4(3) yes
C(3) C(4) C(5) 120.9(3) yes
C(4) C(5) C(6) 121.1(4) yes
C(4) C(5) C(10) 117.9(3) yes
C(6) C(5) C(10) 120.9(4) yes
C(5) C(6) C(7) 120.6(4) yes
C(6) C(7) C(8) 120.6(3) yes
C(7) C(8) C(9) 119.6(4) yes
C(8) C(9) C(10) 120.9(4) yes
C(1) C(10) C(5) 120.9(3) yes
C(1) C(10) C(9) 121.8(2) yes
C(5) C(10) C(9) 117.3(3) yes
Si(1) C(11) C(12) 118.5(2) yes
Si(1) C(11) C(20) 124.0(2) yes
C(12) C(11) C(20) 117.4(2) yes
C(11) C(12) C(13) 122.3(2) yes
C(12) C(13) C(14) 120.1(2) yes
C(13) C(14) C(15) 121.4(2) yes
C(14) C(15) C(16) 121.7(2) yes
C(14) C(15) C(20) 118.0(2) yes
C(16) C(15) C(20) 120.3(2) yes
C(15) C(16) C(17) 120.6(2) yes
C(16) C(17) C(18) 119.9(2) yes
C(17) C(18) C(19) 121.3(3) yes
C(18) C(19) C(20) 120.7(2) yes
C(11) C(20) C(15) 120.8(2) yes
C(11) C(20) C(19) 122.1(2) yes
C(15) C(20) C(19) 117.1(2) yes
N(1) C(21) C(22) 116.3(2) yes
C(21) C(22) C(23) 109.7(2) yes
C(22) C(23) C(24) 112.5(3) yes
N(1) C(25) C(26) 115.0(2) yes
C(25) C(26) C(27) 110.7(2) yes
C(26) C(27) C(28) 114.7(3) yes
N(1) C(29) C(30) 115.7(2) yes
C(29) C(30) C(31) 109.6(2) yes
C(30) C(31) C(32) 112.3(3) yes
N(1) C(33) C(34) 115.5(2) yes
C(33) C(34) C(35) 110.0(2) yes
C(34) C(35) C(36) 113.4(3) yes
Cl(2) C(37) Cl(3) 108.8(3) yes
Cl(2) C(37) Cl(4) 114.7(3) yes
Cl(3) C(37) Cl(4) 108.7(2) yes
Cl(5) C(38) Cl(6) 110.6(2) yes
Cl(5) C(38) Cl(7) 110.1(2) yes
Cl(6) C(38) Cl(7) 111.8(2) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Cl(2) C(37) 1.707(4) yes
Cl(3) C(37) 1.745(4) yes
Cl(4) C(37) 1.751(5) yes
Cl(5) C(38) 1.763(3) yes
Cl(6) C(38) 1.756(4) yes
Cl(7) C(38) 1.744(3) yes
Si(1) O(1) 1.636(2) yes
Si(1) O(2) 1.633(2) yes
Si(1) C(1) 1.878(3) yes
Si(1) C(11) 1.870(2) yes
N(1) C(21) 1.516(3) yes
N(1) C(25) 1.525(3) yes
N(1) C(29) 1.524(3) yes
N(1) C(33) 1.527(3) yes
C(1) C(2) 1.375(4) yes
C(1) C(10) 1.431(4) yes
C(2) C(3) 1.424(4) yes
C(3) C(4) 1.341(6) yes
C(4) C(5) 1.443(6) yes
C(5) C(6) 1.404(6) yes
C(5) C(10) 1.421(4) yes
C(6) C(7) 1.360(8) yes
C(7) C(8) 1.434(8) yes
C(8) C(9) 1.376(4) yes
C(9) C(10) 1.445(5) yes
C(11) C(12) 1.380(3) yes
C(11) C(20) 1.437(3) yes
C(12) C(13) 1.421(4) yes
C(13) C(14) 1.348(5) yes
C(14) C(15) 1.424(4) yes
C(15) C(16) 1.410(4) yes
C(15) C(20) 1.429(3) yes
C(16) C(17) 1.358(5) yes
C(17) C(18) 1.406(4) yes
C(18) C(19) 1.365(4) yes
C(19) C(20) 1.427(3) yes
C(21) C(22) 1.508(4) yes
C(22) C(23) 1.527(4) yes
C(23) C(24) 1.494(5) yes
C(25) C(26) 1.523(4) yes
C(26) C(27) 1.519(4) yes
C(27) C(28) 1.493(6) yes
C(29) C(30) 1.516(4) yes
C(30) C(31) 1.519(4) yes
C(31) C(32) 1.511(6) yes
C(33) C(34) 1.519(3) yes
C(34) C(35) 1.535(4) yes
C(35) C(36) 1.485(4) yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
Cl(1) O(2) 3.080(2) .
Cl(1) O(1) 3.196(2) .
Cl(1) C(37) 3.348(4) .
Cl(1) C(38) 3.412(3) .
Cl(4) C(36) 3.596(4) 1_655
O(2) C(33) 3.469(3) 4_545
O(2) C(21) 3.503(3) .
O(2) C(23) 3.596(4) .
C(14) C(18) 3.553(4) 3_544
C(15) C(34) 3.482(3) .
C(16) C(20) 3.526(3) 3_544
C(16) C(34) 3.568(4) .
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_publ_flag
Si(1) C(1) C(2) C(3) 176.4(2) yes
Si(1) C(1) C(10) C(5) -177.3(2) yes
Si(1) C(1) C(10) C(9) 1.5(3) yes
Si(1) C(11) C(12) C(13) 175.8(2) yes
Si(1) C(11) C(20) C(15) -175.7(2) yes
Si(1) C(11) C(20) C(19) 5.1(3) yes
O(1) Si(1) C(1) C(2) 138.2(2) yes
O(1) Si(1) C(1) C(10) -45.2(2) yes
O(1) Si(1) C(11) C(12) 18.9(2) yes
O(1) Si(1) C(11) C(20) -164.5(2) yes
O(2) Si(1) C(1) C(2) 19.0(2) yes
O(2) Si(1) C(1) C(10) -164.4(2) yes
O(2) Si(1) C(11) C(12) 141.1(2) yes
O(2) Si(1) C(11) C(20) -42.3(2) yes
N(1) C(21) C(22) C(23) 179.5(2) yes
N(1) C(25) C(26) C(27) 178.5(2) yes
N(1) C(29) C(30) C(31) -175.1(2) yes
N(1) C(33) C(34) C(35) 174.3(2) yes
C(1) Si(1) C(11) C(12) -101.8(2) yes
C(1) Si(1) C(11) C(20) 74.8(2) yes
C(1) C(2) C(3) C(4) 0.6(4) yes
C(1) C(10) C(5) C(4) 1.7(4) yes
C(1) C(10) C(5) C(6) -179.9(3) yes
C(1) C(10) C(9) C(8) -179.2(3) yes
C(2) C(1) Si(1) C(11) -101.9(2) yes
C(2) C(1) C(10) C(5) -0.7(3) yes
C(2) C(1) C(10) C(9) 178.1(2) yes
C(2) C(3) C(4) C(5) 0.4(5) yes
C(3) C(2) C(1) C(10) -0.4(4) yes
C(3) C(4) C(5) C(6) -180.0(3) yes
C(3) C(4) C(5) C(10) -1.5(5) yes
C(4) C(5) C(6) C(7) 176.7(4) yes
C(4) C(5) C(10) C(9) -177.2(3) yes
C(5) C(6) C(7) C(8) 1.2(7) yes
C(5) C(10) C(9) C(8) -0.3(4) yes
C(6) C(5) C(10) C(9) 1.2(4) yes
C(6) C(7) C(8) C(9) -0.3(6) yes
C(7) C(6) C(5) C(10) -1.7(6) yes
C(7) C(8) C(9) C(10) -0.1(5) yes
C(10) C(1) Si(1) C(11) 74.7(2) yes
C(11) C(12) C(13) C(14) 0.5(4) yes
C(11) C(20) C(15) C(14) -0.3(3) yes
C(11) C(20) C(15) C(16) -179.1(2) yes
C(11) C(20) C(19) C(18) 179.0(2) yes
C(12) C(11) C(20) C(15) 1.0(3) yes
C(12) C(11) C(20) C(19) -178.2(2) yes
C(12) C(13) C(14) C(15) 0.2(4) yes
C(13) C(12) C(11) C(20) -1.1(3) yes
C(13) C(14) C(15) C(16) 178.5(2) yes
C(13) C(14) C(15) C(20) -0.3(4) yes
C(14) C(15) C(16) C(17) -178.3(2) yes
C(14) C(15) C(20) C(19) 178.9(2) yes
C(15) C(16) C(17) C(18) -0.8(4) yes
C(15) C(20) C(19) C(18) -0.2(3) yes
C(16) C(15) C(20) C(19) 0.1(3) yes
C(16) C(17) C(18) C(19) 0.8(4) yes
C(17) C(16) C(15) C(20) 0.4(4) yes
C(17) C(18) C(19) C(20) -0.2(4) yes
C(21) N(1) C(25) C(26) 59.3(3) yes
C(21) N(1) C(29) C(30) -176.9(2) yes
C(21) N(1) C(33) C(34) -59.9(2) yes
C(21) C(22) C(23) C(24) -175.1(3) yes
C(22) C(21) N(1) C(25) 62.8(3) yes
C(22) C(21) N(1) C(29) -175.9(2) yes
C(22) C(21) N(1) C(33) -55.7(3) yes
C(25) N(1) C(29) C(30) -55.1(3) yes
C(25) N(1) C(33) C(34) 178.2(2) yes
C(25) C(26) C(27) C(28) -69.0(4) yes
C(26) C(25) N(1) C(29) -59.0(3) yes
C(26) C(25) N(1) C(33) -179.1(2) yes
C(29) N(1) C(33) C(34) 57.6(2) yes
C(29) C(30) C(31) C(32) -175.8(3) yes
C(30) C(29) N(1) C(33) 62.3(2) yes
C(33) C(34) C(35) C(36) -72.8(3) yes
C(33) C(34) C(35) C(36) -72.8(3) yes
loop_
_cod_related_entry_id
_cod_related_entry_code
_cod_related_entry_database
1 21151940 ChemSpider
2 139039486 PubChem
