#------------------------------------------------------------------------------
#$Date: 2017-10-13 14:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201982 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/10/11/4101115.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_4101115
_publ_section_title
;
A New Strategy for Preparing Molecular Imaging and Therapy Agents Using
Fluorine Rich (Fluorous) Soluble Supports
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0600375
_journal_year                    2006
_chemical_formula_sum            'C31 H17 F39 O2 Sn'
_chemical_formula_weight         1281.14
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.056(6)
_cell_angle_beta                 95.239(8)
_cell_angle_gamma                95.683(7)
_cell_formula_units_Z            4
_cell_length_a                   10.961(4)
_cell_length_b                   15.643(6)
_cell_length_c                   25.006(10)
_cell_measurement_temperature    103(2)
_cell_volume                     4188(3)
_diffrn_ambient_temperature      103(2)
_exptl_crystal_density_diffrn    2.032
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4101115
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
Sn1 Sn 1.41558(5) 0.28582(4) 0.33065(2) 0.02037(18) Uani 1 1 d U . .
Sn2 Sn 0.90866(5) 0.63822(4) 0.30416(2) 0.02018(18) Uani 1 1 d . . .
F53B F 0.6726(4) 0.5267(3) 0.21761(18) 0.0356(14) Uani 1 1 d . . .
F44B F 0.9469(4) 0.8976(3) 0.50167(17) 0.0244(12) Uani 1 1 d . . .
F36B F 1.5277(4) 0.0390(3) 0.56286(18) 0.0306(13) Uani 1 1 d . . .
F44A F 0.9507(4) 0.7684(3) 0.52523(17) 0.0274(13) Uani 1 1 d . . .
F33B F 1.5410(4) 0.2704(3) 0.52161(17) 0.0255(12) Uani 1 1 d . . .
F16B F 0.8464(4) 0.1994(3) 0.09812(19) 0.0375(14) Uani 1 1 d . . .
F56B F 0.2505(4) 0.5060(3) 0.13614(19) 0.0374(14) Uani 1 1 d . . .
F56A F 0.3416(4) 0.5565(3) 0.07162(19) 0.0446(15) Uani 1 1 d . . .
F54B F 0.4188(4) 0.5456(3) 0.22497(18) 0.0356(14) Uani 1 1 d . . .
F45B F 1.1558(4) 0.8117(3) 0.58591(17) 0.0307(13) Uani 1 1 d . . .
F24B F 1.7354(4) 0.1074(3) 0.2167(2) 0.0377(14) Uani 1 1 d . . .
F53A F 0.6791(4) 0.6389(3) 0.17592(18) 0.0332(13) Uani 1 1 d . . .
F58C F 0.1480(4) 0.3269(4) -0.0038(2) 0.0468(16) Uani 1 1 d . . .
F45A F 1.2063(4) 0.9273(3) 0.55085(18) 0.0275(13) Uani 1 1 d . . .
F46B F 1.0427(4) 1.0128(3) 0.59484(17) 0.0320(13) Uani 1 1 d . . .
F43B F 1.1301(4) 0.8783(3) 0.44242(17) 0.0233(12) Uani 1 1 d . . .
F55B F 0.5528(4) 0.5107(3) 0.10393(19) 0.0382(14) Uani 1 1 d . . .
F36A F 1.6368(4) 0.1646(3) 0.59510(17) 0.0260(12) Uani 1 1 d . . .
F13B F 1.0638(4) 0.2885(3) 0.27462(19) 0.0368(14) Uani 1 1 d . . .
F55A F 0.4733(4) 0.4222(3) 0.15407(19) 0.0378(14) Uani 1 1 d . . .
F13A F 1.2198(4) 0.3182(3) 0.23004(19) 0.0331(13) Uani 1 1 d . . .
F47B F 1.2345(4) 0.9581(3) 0.66619(17) 0.0327(13) Uani 1 1 d . . .
F33A F 1.5511(4) 0.1377(3) 0.48197(17) 0.0250(12) Uani 1 1 d . . .
C03A C 1.3976(7) 0.4869(5) 0.3421(3) 0.023(2) Uani 1 1 d . . .
H03A H 1.4574 0.4851 0.3169 0.028 Uiso 1 1 calc R . .
C53 C 0.6181(7) 0.6004(6) 0.2127(3) 0.024(2) Uani 1 1 d . . .
C13 C 1.1308(8) 0.2529(6) 0.2343(4) 0.027(2) Uani 1 1 d . . .
C51 C 0.7564(6) 0.7093(5) 0.2843(3) 0.021(2) Uani 1 1 d . . .
H51B H 0.7503 0.7537 0.3166 0.025 Uiso 1 1 calc R . .
H51A H 0.7784 0.7411 0.2547 0.025 Uiso 1 1 calc R . .
C27 C 1.6112(9) -0.1500(6) 0.1273(4) 0.037(3) Uani 1 1 d . . .
C43 C 1.0783(7) 0.8063(5) 0.4598(3) 0.017(2) Uani 1 1 d . . .
C02A C 1.3516(8) 0.4097(5) 0.3597(3) 0.020(2) Uani 1 1 d . . .
C33 C 1.4713(7) 0.1990(5) 0.4914(3) 0.019(2) Uani 1 1 d . . .
C31 C 1.5044(7) 0.2392(5) 0.3993(3) 0.016(2) Uani 1 1 d U . .
H31B H 1.5422 0.1859 0.3863 0.019 Uiso 1 1 calc R . .
H31A H 1.5709 0.2839 0.4184 0.019 Uiso 1 1 calc R . .
C45 C 1.1106(7) 0.8774(5) 0.5638(3) 0.017(2) Uani 1 1 d . . .
C46 C 1.0462(7) 0.9330(6) 0.6089(3) 0.022(2) Uani 1 1 d U . .
C41 C 1.0357(7) 0.7290(5) 0.3609(3) 0.019(2) Uani 1 1 d . . .
H41B H 1.1151 0.7044 0.3654 0.023 Uiso 1 1 calc R . .
H41A H 1.0511 0.7835 0.3459 0.023 Uiso 1 1 calc R . .
F48C F 1.1160(5) 1.0949(3) 0.6958(2) 0.0529(16) Uani 1 1 d . . .
F14B F 0.9609(4) 0.1647(3) 0.18647(19) 0.0363(14) Uani 1 1 d . . .
F43A F 1.1759(4) 0.7621(3) 0.47419(17) 0.0256(12) Uani 1 1 d . . .
F24A F 1.6353(4) 0.1286(3) 0.14156(19) 0.0394(14) Uani 1 1 d . . .
F58B F 0.2371(5) 0.4473(4) -0.0209(2) 0.0561(17) Uani 1 1 d . . .
F58A F 0.1039(5) 0.4499(4) 0.0382(2) 0.0492(16) Uani 1 1 d . . .
F54A F 0.4391(4) 0.6427(3) 0.17215(18) 0.0332(13) Uani 1 1 d . . .
F27B F 1.6932(5) -0.1684(3) 0.1663(2) 0.0484(16) Uani 1 1 d . . .
F27A F 1.4967(5) -0.1757(3) 0.1387(2) 0.0556(17) Uani 1 1 d . . .
C02B C 0.8452(7) 0.5365(5) 0.3465(3) 0.017(2) Uani 1 1 d . . .
C03B C 0.8965(7) 0.4562(5) 0.3399(3) 0.022(2) Uani 1 1 d . . .
H03B H 0.9540 0.4463 0.3140 0.027 Uiso 1 1 calc R . .
F16A F 0.9820(4) 0.2882(3) 0.07013(18) 0.0330(13) Uani 1 1 d . . .
C36 C 1.5348(7) 0.1129(6) 0.6004(3) 0.022(2) Uani 1 1 d . . .
C56 C 0.3373(8) 0.4920(6) 0.1022(3) 0.025(2) Uani 1 1 d . . .
C52 C 0.6271(7) 0.6599(5) 0.2668(3) 0.025(2) Uani 1 1 d . . .
H52B H 0.6048 0.6250 0.2949 0.031 Uiso 1 1 calc R . .
H52A H 0.5668 0.7027 0.2646 0.031 Uiso 1 1 calc R . .
C37 C 1.5489(8) 0.0849(6) 0.6575(4) 0.027(2) Uani 1 1 d . . .
C14 C 1.0425(8) 0.2319(6) 0.1812(4) 0.027(2) Uani 1 1 d . . .
C54 C 0.4861(8) 0.5717(6) 0.1863(3) 0.023(2) Uani 1 1 d . . .
C55 C 0.4641(8) 0.4986(6) 0.1360(4) 0.028(2) Uani 1 1 d . . .
C58 C 0.1938(9) 0.4080(8) 0.0178(4) 0.043(3) Uani 1 1 d . . .
C42 C 0.9892(7) 0.7503(5) 0.4165(3) 0.019(2) Uani 1 1 d . . .
H42B H 0.9140 0.7798 0.4121 0.023 Uiso 1 1 calc R . .
H42A H 0.9651 0.6948 0.4292 0.023 Uiso 1 1 calc R . .
C24 C 1.6221(8) 0.1004(6) 0.1893(4) 0.024(2) Uani 1 1 d . . .
C44 C 1.0227(7) 0.8367(6) 0.5124(3) 0.021(2) Uani 1 1 d . . .
C01B C 0.7579(7) 0.5456(5) 0.3836(3) 0.019(2) Uani 1 1 d . . .
H01B H 0.7199 0.5979 0.3885 0.022 Uiso 1 1 calc R . .
F37B F 1.4713(4) 0.0128(3) 0.65633(19) 0.0342(14) Uani 1 1 d . . .
F47A F 1.0846(4) 0.8698(3) 0.68661(17) 0.0327(13) Uani 1 1 d . . .
F37A F 1.5169(4) 0.1489(3) 0.69549(19) 0.0401(14) Uani 1 1 d . . .
F28B F 1.5422(6) -0.2014(4) 0.0347(2) 0.076(2) Uani 1 1 d . . .
F28C F 1.6376(5) -0.2858(4) 0.0788(2) 0.0623(18) Uani 1 1 d . . .
C21 C 1.5340(7) 0.3144(5) 0.2702(3) 0.024(2) Uani 1 1 d . . .
H21B H 1.4807 0.3277 0.2391 0.029 Uiso 1 1 calc R . .
H21A H 1.5879 0.3688 0.2859 0.029 Uiso 1 1 calc R . .
F18B F 0.7143(5) 0.2509(4) 0.0142(2) 0.0640(19) Uani 1 1 d . . .
F28A F 1.7374(6) -0.1749(4) 0.0566(2) 0.0651(19) Uani 1 1 d . . .
C04B C 0.8654(7) 0.3923(5) 0.3700(3) 0.026(2) Uani 1 1 d . . .
H04B H 0.9024 0.3397 0.3651 0.031 Uiso 1 1 calc R . .
C06B C 0.7240(7) 0.4810(5) 0.4136(3) 0.019(2) Uani 1 1 d . . .
C05B C 0.7803(7) 0.4045(5) 0.4075(3) 0.023(2) Uani 1 1 d . . .
H05B H 0.7605 0.3609 0.4289 0.027 Uiso 1 1 calc R . .
F35B F 1.4453(4) 0.2420(3) 0.61721(18) 0.0318(13) Uani 1 1 d . . .
F23B F 1.4450(4) 0.1717(3) 0.18939(18) 0.0350(14) Uani 1 1 d . . .
F23A F 1.5030(4) 0.1207(3) 0.26214(18) 0.0309(13) Uani 1 1 d . . .
F34B F 1.2905(4) 0.2192(3) 0.53159(18) 0.0311(13) Uani 1 1 d . . .
F18C F 0.8334(5) 0.3648(4) 0.0065(2) 0.0585(19) Uani 1 1 d . . .
C34 C 1.3799(7) 0.1643(6) 0.5282(3) 0.024(2) Uani 1 1 d . . .
C25 C 1.5716(8) 0.0017(6) 0.1764(4) 0.027(2) Uani 1 1 d . . .
C32 C 1.4117(7) 0.2188(5) 0.4389(3) 0.017(2) Uani 1 1 d U . .
H32A H 1.3647 0.2693 0.4471 0.021 Uiso 1 1 calc R . .
H32B H 1.3524 0.1683 0.4212 0.021 Uiso 1 1 calc R . .
C22 C 1.6166(7) 0.2488(5) 0.2470(3) 0.027(2) Uani 1 1 d . . .
H22B H 1.6606 0.2723 0.2187 0.033 Uiso 1 1 calc R . .
H22A H 1.6791 0.2407 0.2764 0.033 Uiso 1 1 calc R . .
C35 C 1.4195(8) 0.1591(6) 0.5887(4) 0.026(2) Uani 1 1 d . . .
C01A C 1.2609(7) 0.4126(5) 0.3948(3) 0.021(2) Uani 1 1 d . . .
H01A H 1.2279 0.3607 0.4061 0.025 Uiso 1 1 calc R . .
C15 C 0.9703(8) 0.3054(6) 0.1642(4) 0.026(2) Uani 1 1 d . . .
C23 C 1.5464(8) 0.1617(6) 0.2226(3) 0.028(2) Uani 1 1 d . . .
F26A F 1.7489(5) -0.0238(3) 0.13263(19) 0.0407(14) Uani 1 1 d . . .
F38C F 1.6737(4) 0.0286(3) 0.72082(18) 0.0332(13) Uani 1 1 d . . .
F14A F 1.1109(4) 0.2057(3) 0.14058(18) 0.0304(13) Uani 1 1 d . . .
F17B F 0.7036(4) 0.3216(3) 0.12276(19) 0.0396(14) Uani 1 1 d . . .
F38B F 1.7194(4) 0.0123(3) 0.63734(19) 0.0363(14) Uani 1 1 d . . .
F15B F 0.8883(4) 0.3225(3) 0.20071(18) 0.0376(14) Uani 1 1 d . . .
F17A F 0.8444(4) 0.4253(3) 0.11342(19) 0.0391(14) Uani 1 1 d . . .
F34A F 1.3247(4) 0.0852(3) 0.50339(18) 0.0283(13) Uani 1 1 d . . .
F35A F 1.3246(4) 0.1187(3) 0.60815(18) 0.0316(13) Uani 1 1 d . . .
F15A F 1.0494(4) 0.3770(3) 0.16723(18) 0.0284(13) Uani 1 1 d . . .
F57B F 0.2581(4) 0.3456(3) 0.0935(2) 0.0399(14) Uani 1 1 d . . .
F38A F 1.7550(4) 0.1385(3) 0.68916(19) 0.0419(15) Uani 1 1 d . . .
F25B F 1.4485(4) -0.0051(3) 0.16391(19) 0.0387(14) Uani 1 1 d . . .
O2B O 0.5902(5) 0.5691(3) 0.4597(2) 0.0263(15) Uani 1 1 d . . .
H2BA H 0.5336 0.5686 0.4802 0.039 Uiso 1 1 calc R . .
F48B F 0.9515(4) 1.0143(3) 0.70449(18) 0.0400(15) Uani 1 1 d . . .
O1B O 0.5908(5) 0.4314(4) 0.4750(2) 0.0255(15) Uani 1 1 d . . .
F26B F 1.5745(5) -0.0329(3) 0.08147(19) 0.0439(15) Uani 1 1 d . . .
C04A C 1.3562(8) 0.5642(6) 0.3613(4) 0.030(2) Uani 1 1 d . . .
H04A H 1.3898 0.6163 0.3503 0.036 Uiso 1 1 calc R . .
C62 C 0.9928(8) 0.6169(5) 0.1854(3) 0.026(2) Uani 1 1 d . . .
H62B H 1.0277 0.5781 0.1569 0.032 Uiso 1 1 calc R . .
H62A H 0.9055 0.6197 0.1723 0.032 Uiso 1 1 calc R . .
C17 C 0.7997(8) 0.3421(6) 0.0954(3) 0.026(2) Uani 1 1 d . . .
C38 C 1.6753(8) 0.0656(6) 0.6768(4) 0.031(2) Uani 1 1 d . . .
C61 C 0.9966(7) 0.5760(5) 0.2372(3) 0.023(2) Uani 1 1 d . . .
H61B H 1.0842 0.5744 0.2503 0.028 Uiso 1 1 calc R . .
H61A H 0.9581 0.5149 0.2272 0.028 Uiso 1 1 calc R . .
C11 C 1.2554(7) 0.1919(5) 0.3076(3) 0.027(2) Uani 1 1 d . . .
H11B H 1.2798 0.1354 0.3151 0.033 Uiso 1 1 calc R . .
H11A H 1.1943 0.2087 0.3330 0.033 Uiso 1 1 calc R . .
C12 C 1.1865(7) 0.1746(5) 0.2499(3) 0.025(2) Uani 1 1 d . . .
H12B H 1.2446 0.1561 0.2234 0.030 Uiso 1 1 calc R . .
H12A H 1.1200 0.1260 0.2474 0.030 Uiso 1 1 calc R . .
C07B C 0.6313(8) 0.4909(6) 0.4521(3) 0.026(2) Uani 1 1 d . . .
C26 C 1.6261(9) -0.0505(6) 0.1284(4) 0.032(2) Uani 1 1 d . . .
C18 C 0.7488(10) 0.3336(7) 0.0351(4) 0.040(3) Uani 1 1 d . . .
F25A F 1.5955(4) -0.0323(3) 0.22172(19) 0.0373(14) Uani 1 1 d . . .
F18A F 0.6503(4) 0.3764(3) 0.03134(18) 0.0404(15) Uani 1 1 d . . .
C66 C 1.1326(9) 0.8748(6) 0.0921(4) 0.033(3) Uani 1 1 d . . .
O2A O 1.0989(5) 0.4251(4) 0.4718(2) 0.0308(16) Uani 1 1 d . . .
H2AA H 1.0430 0.4318 0.4924 0.046 Uiso 1 1 calc R . .
C07A C 1.1245(8) 0.4975(6) 0.4516(3) 0.022(2) Uani 1 1 d . . .
C05A C 1.2663(7) 0.5676(5) 0.3964(3) 0.023(2) Uani 1 1 d . . .
H05A H 1.2369 0.6216 0.4089 0.028 Uiso 1 1 calc R . .
C06A C 1.2182(7) 0.4914(6) 0.4136(3) 0.019(2) Uani 1 1 d . . .
F63A F 1.1805(4) 0.7077(3) 0.21239(19) 0.0387(14) Uani 1 1 d . . .
F65B F 1.1997(5) 0.8651(3) 0.18169(19) 0.0443(16) Uani 1 1 d . . .
F66B F 1.0557(5) 0.8311(3) 0.04973(19) 0.0501(16) Uani 1 1 d . . .
F67B F 1.1861(5) 1.0179(3) 0.1392(2) 0.0434(15) Uani 1 1 d . . .
F65A F 1.0098(5) 0.8871(3) 0.1641(2) 0.0492(16) Uani 1 1 d . . .
F67A F 1.0128(5) 0.9896(3) 0.0865(2) 0.0527(16) Uani 1 1 d . . .
F66A F 1.2479(5) 0.8561(3) 0.08355(19) 0.0443(15) Uani 1 1 d . . .
O1A O 1.0727(5) 0.5635(4) 0.4631(2) 0.0284(16) Uani 1 1 d . . .
F68B F 1.1550(5) 0.9586(4) -0.0021(2) 0.0592(18) Uani 1 1 d . . .
C64 C 1.0604(8) 0.7443(6) 0.1399(4) 0.032(2) Uani 1 1 d . . .
C67 C 1.1324(9) 0.9735(7) 0.0911(4) 0.036(3) Uani 1 1 d . . .
C63 C 1.0607(8) 0.7058(6) 0.1919(3) 0.027(2) Uani 1 1 d . . .
C65 C 1.1025(8) 0.8447(6) 0.1449(3) 0.030(2) Uani 1 1 d . . .
C68 C 1.1932(11) 1.0069(7) 0.0450(4) 0.048(3) Uani 1 1 d . . .
F63B F 1.0114(4) 0.7628(3) 0.22959(18) 0.0331(13) Uani 1 1 d . . .
F64B F 0.9439(5) 0.7308(3) 0.11435(19) 0.0515(17) Uani 1 1 d . . .
F68C F 1.1661(6) 1.0879(4) 0.0428(2) 0.0656(19) Uani 1 1 d . . .
F68A F 1.3155(5) 1.0127(4) 0.0547(2) 0.0636(19) Uani 1 1 d . . .
C28 C 1.6313(12) -0.2039(7) 0.0724(4) 0.052(3) Uani 1 1 d . . .
F64A F 1.1336(5) 0.7019(3) 0.1068(2) 0.0454(15) Uani 1 1 d . . .
F57A F 0.3953(4) 0.3781(3) 0.03956(19) 0.0450(15) Uani 1 1 d . . .
C57 C 0.2980(8) 0.4047(6) 0.0635(4) 0.030(2) Uani 1 1 d . . .
F46A F 0.9306(4) 0.8963(3) 0.60888(17) 0.0265(12) Uani 1 1 d . . .
F48A F 1.1160(4) 1.0142(3) 0.75718(18) 0.0443(15) Uani 1 1 d . . .
C16 C 0.9008(8) 0.2819(6) 0.1070(3) 0.028(2) Uani 1 1 d . . .
C47 C 1.1122(8) 0.9437(6) 0.6668(3) 0.023(2) Uani 1 1 d U . .
C48 C 1.0723(8) 1.0192(6) 0.7068(4) 0.027(2) Uani 1 1 d U . .
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
Sn1 C11 2.147(7) . ?
Sn1 C21 2.150(7) . ?
Sn1 C31 2.158(6) . ?
Sn1 C02A 2.166(8) . ?
Sn2 C41 2.141(7) . ?
Sn2 C02B 2.141(8) . ?
Sn2 C61 2.156(7) . ?
Sn2 C51 2.158(7) . ?
F53B C53 1.368(9) . ?
F44B C44 1.366(8) . ?
F36B C36 1.360(9) . ?
F44A C44 1.362(9) . ?
F33B C33 1.364(8) . ?
F16B C16 1.342(9) . ?
F56B C56 1.343(9) . ?
F56A C56 1.359(9) . ?
F54B C54 1.355(8) . ?
F45B C45 1.355(8) . ?
F24B C24 1.348(8) . ?
F53A C53 1.365(9) . ?
F58C C58 1.327(10) . ?
F45A C45 1.339(8) . ?
F46B C46 1.352(9) . ?
F43B C43 1.361(8) . ?
F55B C55 1.333(9) . ?
F36A C36 1.342(8) . ?
F13B C13 1.379(9) . ?
F55A C55 1.352(9) . ?
F13A C13 1.366(9) . ?
F47B C47 1.339(9) . ?
F33A C33 1.368(8) . ?
C03A C04A 1.365(10) . ?
C03A C02A 1.412(10) . ?
C53 C52 1.505(10) . ?
C53 C54 1.527(10) . ?
C13 C12 1.509(10) . ?
C13 C14 1.541(11) . ?
C51 C52 1.536(9) . ?
C27 F27A 1.348(10) . ?
C27 F27B 1.348(9) . ?
C27 C28 1.542(13) . ?
C27 C26 1.545(12) . ?
C43 F43A 1.380(8) . ?
C43 C42 1.494(9) . ?
C43 C44 1.529(11) . ?
C02A C01A 1.385(10) . ?
C33 C32 1.503(9) . ?
C33 C34 1.538(11) . ?
C31 C32 1.527(9) . ?
C45 C44 1.542(10) . ?
C45 C46 1.576(11) . ?
C46 F46A 1.339(8) . ?
C46 C47 1.536(10) . ?
C41 C42 1.522(10) . ?
F48C C48 1.312(9) . ?
F14B C14 1.341(9) . ?
F24A C24 1.351(9) . ?
F58B C58 1.324(10) . ?
F58A C58 1.333(11) . ?
F54A C54 1.353(8) . ?
C02B C01B 1.393(10) . ?
C02B C03B 1.418(10) . ?
C03B C04B 1.378(10) . ?
F16A C16 1.347(9) . ?
C36 C35 1.546(11) . ?
C36 C37 1.556(11) . ?
C56 C57 1.541(11) . ?
C56 C55 1.545(10) . ?
C37 F37B 1.339(9) . ?
C37 F37A 1.364(9) . ?
C37 C38 1.501(11) . ?
C14 F14A 1.354(9) . ?
C14 C15 1.550(11) . ?
C54 C55 1.545(11) . ?
C58 C57 1.552(12) . ?
C24 C23 1.527(11) . ?
C24 C25 1.561(11) . ?
C01B C06B 1.392(10) . ?
F47A C47 1.347(8) . ?
F28B C28 1.302(11) . ?
F28C C28 1.324(11) . ?
C21 C22 1.517(10) . ?
F18B C18 1.321(10) . ?
F28A C28 1.322(12) . ?
C04B C05B 1.387(10) . ?
C06B C05B 1.394(10) . ?
C06B C07B 1.465(11) . ?
F35B C35 1.367(9) . ?
F23B C23 1.362(8) . ?
F23A C23 1.357(9) . ?
F34B C34 1.365(8) . ?
F18C C18 1.321(11) . ?
C34 F34A 1.351(9) . ?
C34 C35 1.551(11) . ?
C25 F25A 1.343(9) . ?
C25 F25B 1.346(9) . ?
C25 C26 1.544(12) . ?
C22 C23 1.505(11) . ?
C35 F35A 1.333(9) . ?
C01A C06A 1.390(10) . ?
C15 F15A 1.334(9) . ?
C15 F15B 1.353(9) . ?
C15 C16 1.531(10) . ?
F26A C26 1.358(9) . ?
F38C C38 1.321(9) . ?
F17B C17 1.348(9) . ?
F38B C38 1.346(10) . ?
F17A C17 1.337(9) . ?
F57B C57 1.344(10) . ?
F38A C38 1.343(9) . ?
O2B C07B 1.337(9) . ?
F48B C48 1.315(9) . ?
O1B C07B 1.234(9) . ?
F26B C26 1.336(9) . ?
C04A C05A 1.378(11) . ?
C62 C63 1.490(11) . ?
C62 C61 1.531(9) . ?
C17 C18 1.540(11) . ?
C17 C16 1.560(11) . ?
C11 C12 1.538(9) . ?
C18 F18A 1.328(10) . ?
C66 F66B 1.339(9) . ?
C66 F66A 1.354(10) . ?
C66 C65 1.524(11) . ?
C66 C67 1.548(12) . ?
O2A C07A 1.328(9) . ?
C07A O1A 1.234(9) . ?
C07A C06A 1.460(11) . ?
C05A C06A 1.401(10) . ?
F63A C63 1.360(9) . ?
F65B C65 1.320(8) . ?
F67B C67 1.342(9) . ?
F65A C65 1.350(10) . ?
F67A C67 1.357(10) . ?
F68B C68 1.305(10) . ?
C64 F64A 1.350(10) . ?
C64 F64B 1.356(9) . ?
C64 C63 1.516(11) . ?
C64 C65 1.574(12) . ?
C67 C68 1.520(13) . ?
C63 F63B 1.378(9) . ?
C68 F68A 1.332(11) . ?
C68 F68C 1.338(11) . ?
F57A C57 1.340(9) . ?
F48A C48 1.323(9) . ?
C47 C48 1.548(11) . ?
loop_
_cod_related_entry_id
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_cod_related_entry_code
1 ChemSpider 30659979
