#------------------------------------------------------------------------------
#$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/00/7100022.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_7100022
loop_
_publ_author_name
'Tavarekere K. Chandrashekar'
'B. S. Joshi'
'Viswanathan PrabhuRaja'
'Harapriya Rath'
'Raja Roy'
'Jeyaraman Sankar'
_publ_section_title
;
Figure-Eight Aromatic Core-modified Octaphyrins With
Six meso links: Syntheses and Structural Characterization
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b502327k
_journal_year                    2005
_chemical_formula_sum            'C84 H56 Cl4 F10 N4 S4'
_chemical_formula_weight         1581.37
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 97.38(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.713(4)
_cell_length_b                   13.740(3)
_cell_length_c                   29.251(6)
_cell_measurement_temperature    100(2)
_cell_volume                     7459(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.408
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_original_sg_symbol_H-M      'P 1'
_cod_database_code               7100022
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
S1 S 0.14522(5) 0.13885(6) 0.17397(3) 0.0219(2) Uani 1 1 d . . .
S2 S 0.01372(5) 0.16544(7) 0.28488(4) 0.0285(2) Uani 1 1 d . . .
S3 S -0.11887(5) 0.08200(7) 0.19828(4) 0.0299(2) Uani 1 1 d . . .
S4 S 0.05834(5) -0.07353(7) 0.15065(4) 0.0278(2) Uani 1 1 d . . .
Cl1 Cl 0.60918(14) 0.11884(15) 0.22810(7) 0.1139(8) Uani 1 1 d . . .
Cl2 Cl 0.54002(11) -0.07018(12) 0.20831(7) 0.0898(6) Uani 1 1 d . . .
Cl3 Cl 0.16054(9) 0.75159(12) 0.03908(7) 0.0878(6) Uani 1 1 d . . .
Cl4 Cl 0.09157(10) 0.93965(11) 0.02927(6) 0.0778(5) Uani 1 1 d . . .
F1 F 0.33519(13) -0.19017(17) 0.03151(9) 0.0399(6) Uani 1 1 d . . .
F2 F 0.46147(14) -0.2138(2) -0.00191(9) 0.0520(7) Uani 1 1 d . . .
F3 F 0.57465(13) -0.0962(2) 0.02679(10) 0.0550(8) Uani 1 1 d . . .
F4 F 0.55970(13) 0.04832(19) 0.08910(12) 0.0584(8) Uani 1 1 d . . .
F5 F 0.43462(12) 0.06990(17) 0.12351(10) 0.0418(6) Uani 1 1 d . . .
F6 F -0.18617(15) 0.4326(2) 0.39074(11) 0.0610(8) Uani 1 1 d . . .
F7 F -0.27991(18) 0.5042(2) 0.44431(10) 0.0689(9) Uani 1 1 d . . .
F8 F -0.40696(18) 0.4132(2) 0.44877(11) 0.0715(10) Uani 1 1 d . . .
F9 F -0.43976(14) 0.2477(2) 0.39993(11) 0.0609(9) Uani 1 1 d . . .
F10 F -0.34714(13) 0.1765(2) 0.34544(10) 0.0499(7) Uani 1 1 d . . .
N1 N -0.10423(17) 0.1595(3) 0.33753(12) 0.0378(9) Uani 1 1 d . . .
N2 N -0.18281(17) 0.2422(2) 0.25827(12) 0.0303(8) Uani 1 1 d . . .
N3 N 0.21894(15) -0.1092(2) 0.14165(11) 0.0221(7) Uani 1 1 d . . .
N4 N 0.22199(15) 0.0851(2) 0.10277(11) 0.0209(7) Uani 1 1 d . . .
C1 C 0.12231(19) 0.2295(2) 0.13380(13) 0.0210(8) Uani 1 1 d . . .
C2 C 0.07175(19) 0.2914(3) 0.14894(13) 0.0223(8) Uani 1 1 d . . .
H2 H 0.0524 0.3446 0.1320 0.027 Uiso 1 1 calc R . .
C3 C 0.05265(19) 0.2663(3) 0.19189(13) 0.0229(8) Uani 1 1 d . . .
H3 H 0.0196 0.3010 0.2066 0.027 Uiso 1 1 calc R . .
C4 C 0.08796(18) 0.1848(3) 0.21008(13) 0.0203(8) Uani 1 1 d . . .
C5 C 0.08023(18) 0.1327(3) 0.25241(12) 0.0204(8) Uani 1 1 d . . .
C6 C 0.11763(19) 0.0523(3) 0.26999(13) 0.0222(8) Uani 1 1 d . . .
H6 H 0.1559 0.0247 0.2572 0.027 Uiso 1 1 calc R . .
C7 C 0.09138(18) 0.0166(3) 0.30956(13) 0.0225(8) Uani 1 1 d . . .
H7 H 0.1108 -0.0376 0.3257 0.027 Uiso 1 1 calc R . .
C8 C 0.03454(19) 0.0686(3) 0.32249(13) 0.0239(8) Uani 1 1 d . . .
C9 C -0.0038(2) 0.0493(3) 0.36154(14) 0.0298(9) Uani 1 1 d . . .
C10 C -0.0657(2) 0.0957(3) 0.36895(16) 0.0381(11) Uani 1 1 d . . .
C11 C -0.0994(2) 0.0922(4) 0.41123(17) 0.0506(14) Uani 1 1 d . . .
H11 H -0.0848 0.0549 0.4373 0.061 Uiso 1 1 calc R . .
C12 C -0.1555(2) 0.1532(4) 0.40509(17) 0.0508(14) Uani 1 1 d . . .
H12 H -0.1870 0.1670 0.4263 0.061 Uiso 1 1 calc R . .
C13 C -0.1580(2) 0.1938(3) 0.35900(16) 0.0405(11) Uani 1 1 d . . .
C14 C -0.2111(2) 0.2594(3) 0.33740(15) 0.0329(10) Uani 1 1 d . . .
C15 C -0.2190(2) 0.2842(3) 0.29174(15) 0.0295(9) Uani 1 1 d . . .
C16 C -0.2673(2) 0.3553(3) 0.26822(15) 0.0316(9) Uani 1 1 d . . .
H16 H -0.2997 0.3936 0.2818 0.038 Uiso 1 1 calc R . .
C17 C -0.2578(2) 0.3571(3) 0.22344(15) 0.0323(9) Uani 1 1 d . . .
H17 H -0.2812 0.3987 0.2013 0.039 Uiso 1 1 calc R . .
C18 C -0.2051(2) 0.2840(3) 0.21519(14) 0.0278(9) Uani 1 1 d . . .
C19 C -0.18512(19) 0.2616(3) 0.17379(14) 0.0279(9) Uani 1 1 d . . .
C20 C -0.13845(19) 0.1829(3) 0.16300(14) 0.0264(9) Uani 1 1 d . . .
C21 C -0.1029(2) 0.1757(3) 0.12502(14) 0.0295(9) Uani 1 1 d . . .
H21 H -0.1072 0.2218 0.1016 0.035 Uiso 1 1 calc R . .
C22 C -0.0593(2) 0.0927(3) 0.12460(14) 0.0280(9) Uani 1 1 d . . .
H22 H -0.0320 0.0787 0.1010 0.034 Uiso 1 1 calc R . .
C23 C -0.06104(19) 0.0344(3) 0.16235(14) 0.0256(8) Uani 1 1 d . . .
C24 C -0.01847(19) -0.0509(3) 0.17599(14) 0.0263(9) Uani 1 1 d . . .
C25 C -0.0261(2) -0.1191(3) 0.20922(14) 0.0282(9) Uani 1 1 d . . .
H25 H -0.0650 -0.1209 0.2260 0.034 Uiso 1 1 calc R . .
C26 C 0.0313(2) -0.1863(3) 0.21521(14) 0.0280(9) Uani 1 1 d . . .
H26 H 0.0340 -0.2368 0.2365 0.034 Uiso 1 1 calc R . .
C27 C 0.0830(2) -0.1700(3) 0.18659(14) 0.0253(8) Uani 1 1 d . . .
C28 C 0.14998(19) -0.2233(3) 0.18671(13) 0.0214(8) Uani 1 1 d . . .
C29 C 0.20833(19) -0.1944(3) 0.16637(13) 0.0228(8) Uani 1 1 d . . .
C30 C 0.27414(19) -0.2500(3) 0.16590(13) 0.0246(8) Uani 1 1 d . . .
H30 H 0.2839 -0.3096 0.1804 0.029 Uiso 1 1 calc R . .
C31 C 0.3189(2) -0.2020(3) 0.14140(13) 0.0251(8) Uani 1 1 d . . .
H31 H 0.3642 -0.2233 0.1359 0.030 Uiso 1 1 calc R . .
C32 C 0.28507(19) -0.1120(3) 0.12500(13) 0.0214(8) Uani 1 1 d . . .
C33 C 0.31043(19) -0.0430(3) 0.09696(13) 0.0221(8) Uani 1 1 d . . .
C34 C 0.27429(19) 0.0455(3) 0.08245(13) 0.0227(8) Uani 1 1 d . . .
C35 C 0.2903(2) 0.1045(3) 0.04338(13) 0.0261(8) Uani 1 1 d . . .
H35 H 0.3253 0.0920 0.0243 0.031 Uiso 1 1 calc R . .
C36 C 0.2446(2) 0.1803(3) 0.04045(13) 0.0253(8) Uani 1 1 d . . .
H36 H 0.2407 0.2295 0.0184 0.030 Uiso 1 1 calc R . .
C37 C 0.20240(19) 0.1701(3) 0.07875(12) 0.0214(8) Uani 1 1 d . . .
C38 C 0.15510(18) 0.2373(3) 0.09226(13) 0.0205(8) Uani 1 1 d . . .
C39 C 0.1379(2) 0.3259(3) 0.06272(13) 0.0252(8) Uani 1 1 d . . .
C40 C 0.1818(2) 0.4082(3) 0.06938(14) 0.0290(9) Uani 1 1 d . . .
C41 C 0.1660(2) 0.4883(3) 0.03997(15) 0.0383(11) Uani 1 1 d . . .
H41 H 0.1948 0.5436 0.0438 0.046 Uiso 1 1 calc R . .
C42 C 0.1090(3) 0.4860(3) 0.00583(17) 0.0418(11) Uani 1 1 d . . .
H42 H 0.0991 0.5398 -0.0132 0.050 Uiso 1 1 calc R . .
C43 C 0.0660(2) 0.4046(3) -0.00053(15) 0.0384(11) Uani 1 1 d . . .
H43 H 0.0277 0.4039 -0.0241 0.046 Uiso 1 1 calc R . .
C44 C 0.0789(2) 0.3234(3) 0.02762(14) 0.0313(9) Uani 1 1 d . . .
C45 C 0.0301(2) 0.2365(3) 0.02135(16) 0.0380(10) Uani 1 1 d . . .
H45A H -0.0023 0.2374 0.0443 0.057 Uiso 1 1 calc R . .
H45B H 0.0584 0.1781 0.0245 0.057 Uiso 1 1 calc R . .
H45C H 0.0028 0.2384 -0.0088 0.057 Uiso 1 1 calc R . .
C46 C 0.2433(2) 0.4134(3) 0.10754(16) 0.0357(10) Uani 1 1 d . . .
H46A H 0.2256 0.4042 0.1366 0.054 Uiso 1 1 calc R . .
H46B H 0.2661 0.4760 0.1071 0.054 Uiso 1 1 calc R . .
H46C H 0.2777 0.3634 0.1033 0.054 Uiso 1 1 calc R . .
C47 C 0.02683(19) -0.0281(3) 0.39407(13) 0.0238(8) Uani 1 1 d . . .
C48 C 0.0030(2) -0.1236(3) 0.38658(15) 0.0363(10) Uani 1 1 d . . .
C49 C 0.0318(3) -0.1966(3) 0.41668(16) 0.0419(11) Uani 1 1 d . . .
H49 H 0.0163 -0.2606 0.4119 0.050 Uiso 1 1 calc R . .
C50 C 0.0823(2) -0.1747(3) 0.45291(16) 0.0395(11) Uani 1 1 d . . .
H50 H 0.1011 -0.2235 0.4730 0.047 Uiso 1 1 calc R . .
C51 C 0.1053(2) -0.0813(3) 0.45972(15) 0.0409(11) Uani 1 1 d . . .
H51 H 0.1394 -0.0672 0.4848 0.049 Uiso 1 1 calc R . .
C52 C 0.0793(2) -0.0061(3) 0.43024(13) 0.0285(9) Uani 1 1 d . . .
C53 C 0.1072(3) 0.0953(3) 0.43801(17) 0.0545(14) Uani 1 1 d . . .
H53A H 0.1233 0.1193 0.4103 0.082 Uiso 1 1 calc R . .
H53B H 0.1467 0.0953 0.4624 0.082 Uiso 1 1 calc R . .
H53C H 0.0695 0.1364 0.4463 0.082 Uiso 1 1 calc R . .
C54 C -0.0543(4) -0.1483(5) 0.34636(19) 0.084(2) Uani 1 1 d . . .
H54A H -0.0959 -0.1080 0.3477 0.125 Uiso 1 1 calc R . .
H54B H -0.0677 -0.2155 0.3482 0.125 Uiso 1 1 calc R . .
H54C H -0.0354 -0.1370 0.3178 0.125 Uiso 1 1 calc R . .
C55 C -0.2630(2) 0.3021(3) 0.36673(14) 0.0321(10) Uani 1 1 d . . .
C56 C -0.3294(2) 0.2572(3) 0.36931(15) 0.0346(10) Uani 1 1 d . . .
C57 C -0.3770(2) 0.2930(4) 0.39759(16) 0.0413(11) Uani 1 1 d . . .
C58 C -0.3604(3) 0.3752(4) 0.42186(15) 0.0431(12) Uani 1 1 d . . .
C59 C -0.2966(3) 0.4219(4) 0.42030(16) 0.0462(12) Uani 1 1 d . . .
C60 C -0.2486(2) 0.3852(3) 0.39204(16) 0.0405(11) Uani 1 1 d . . .
C61 C -0.2108(2) 0.3254(3) 0.13260(14) 0.0298(9) Uani 1 1 d . . .
C62 C -0.2686(2) 0.2935(3) 0.10076(15) 0.0352(10) Uani 1 1 d . . .
C63 C -0.2906(2) 0.3513(4) 0.06337(16) 0.0439(12) Uani 1 1 d . . .
H63 H -0.3292 0.3315 0.0422 0.053 Uiso 1 1 calc R . .
C64 C -0.2564(3) 0.4388(4) 0.05650(17) 0.0483(13) Uani 1 1 d . . .
H64 H -0.2716 0.4768 0.0308 0.058 Uiso 1 1 calc R . .
C65 C -0.1995(3) 0.4690(3) 0.08835(16) 0.0424(11) Uani 1 1 d . . .
H65 H -0.1765 0.5275 0.0838 0.051 Uiso 1 1 calc R . .
C66 C -0.1765(2) 0.4132(3) 0.12681(15) 0.0333(10) Uani 1 1 d . . .
C67 C -0.1135(2) 0.4485(3) 0.16050(17) 0.0448(12) Uani 1 1 d . . .
H67A H -0.1307 0.4704 0.1883 0.067 Uiso 1 1 calc R . .
H67B H -0.0900 0.5013 0.1470 0.067 Uiso 1 1 calc R . .
H67C H -0.0800 0.3961 0.1676 0.067 Uiso 1 1 calc R . .
C68 C -0.3060(2) 0.1968(4) 0.10702(18) 0.0479(12) Uani 1 1 d . . .
H68A H -0.3507 0.1944 0.0868 0.072 Uiso 1 1 calc R . .
H68B H -0.3154 0.1908 0.1384 0.072 Uiso 1 1 calc R . .
H68C H -0.2755 0.1444 0.0998 0.072 Uiso 1 1 calc R . .
C69 C 0.15410(19) -0.3175(3) 0.21235(13) 0.0233(8) Uani 1 1 d . . .
C70 C 0.1313(2) -0.4031(3) 0.18878(15) 0.0325(9) Uani 1 1 d . . .
C71 C 0.1351(3) -0.4911(3) 0.21306(16) 0.0392(11) Uani 1 1 d . . .
H71 H 0.1220 -0.5487 0.1975 0.047 Uiso 1 1 calc R . .
C72 C 0.1579(2) -0.4933(3) 0.25941(15) 0.0348(10) Uani 1 1 d . . .
H72 H 0.1599 -0.5524 0.2750 0.042 Uiso 1 1 calc R . .
C73 C 0.1779(2) -0.4095(3) 0.28304(15) 0.0311(9) Uani 1 1 d . . .
H73 H 0.1922 -0.4117 0.3147 0.037 Uiso 1 1 calc R . .
C74 C 0.17679(19) -0.3204(3) 0.25965(14) 0.0269(9) Uani 1 1 d . . .
C75 C 0.1999(2) -0.2281(3) 0.28592(15) 0.0373(10) Uani 1 1 d . . .
H75A H 0.2444 -0.2053 0.2768 0.056 Uiso 1 1 calc R . .
H75B H 0.2063 -0.2414 0.3184 0.056 Uiso 1 1 calc R . .
H75C H 0.1634 -0.1791 0.2792 0.056 Uiso 1 1 calc R . .
C76 C 0.1038(3) -0.4011(3) 0.13805(16) 0.0453(12) Uani 1 1 d . . .
H76A H 0.0637 -0.3572 0.1327 0.068 Uiso 1 1 calc R . .
H76B H 0.0886 -0.4653 0.1281 0.068 Uiso 1 1 calc R . .
H76C H 0.1415 -0.3796 0.1211 0.068 Uiso 1 1 calc R . .
C77 C 0.38114(19) -0.0607(3) 0.07974(13) 0.0243(8) Uani 1 1 d . . .
C78 C 0.3912(2) -0.1322(3) 0.04730(14) 0.0290(9) Uani 1 1 d . . .
C79 C 0.4548(2) -0.1452(3) 0.02971(15) 0.0341(10) Uani 1 1 d . . .
C80 C 0.5119(2) -0.0853(3) 0.04410(17) 0.0396(11) Uani 1 1 d . . .
C81 C 0.5050(2) -0.0122(3) 0.07579(17) 0.0367(11) Uani 1 1 d . . .
C82 C 0.4405(2) -0.0019(3) 0.09279(15) 0.0288(9) Uani 1 1 d . . .
C83 C 0.5304(3) 0.0529(4) 0.2273(2) 0.0766(19) Uani 1 1 d . . .
H83A H 0.4924 0.0847 0.2070 0.092 Uiso 1 1 calc R . .
H83B H 0.5162 0.0522 0.2581 0.092 Uiso 1 1 calc R . .
C84 C 0.1601(3) 0.8657(4) 0.0141(2) 0.0621(15) Uani 1 1 d . . .
H84A H 0.1545 0.8586 -0.0191 0.075 Uiso 1 1 calc R . .
H84B H 0.2061 0.8969 0.0235 0.075 Uiso 1 1 calc R . .
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
S1 C4 1.718(4) . ?
S1 C1 1.728(4) . ?
S2 C5 1.719(4) . ?
S2 C8 1.738(4) . ?
S3 C23 1.731(4) . ?
S3 C20 1.739(4) . ?
S4 C27 1.717(4) . ?
S4 C24 1.728(4) . ?
Cl1 C83 1.728(7) . ?
Cl2 C83 1.797(7) . ?
Cl3 C84 1.729(6) . ?
Cl4 C84 1.738(6) . ?
F1 C78 1.349(4) . ?
F2 C79 1.337(5) . ?
F3 C80 1.345(5) . ?
F4 C81 1.338(5) . ?
F5 C82 1.348(5) . ?
F6 C60 1.343(5) . ?
F7 C59 1.346(5) . ?
F8 C58 1.352(5) . ?
F9 C57 1.338(5) . ?
F10 C56 1.329(5) . ?
N1 C13 1.339(5) . ?
N1 C10 1.401(5) . ?
N2 C15 1.387(5) . ?
N2 C18 1.399(5) . ?
N3 C32 1.387(4) . ?
N3 C29 1.403(4) . ?
N4 C34 1.325(4) . ?
N4 C37 1.388(4) . ?
C1 C2 1.387(5) . ?
C1 C38 1.434(5) . ?
C2 C3 1.393(5) . ?
C3 C4 1.373(5) . ?
C4 C5 1.453(5) . ?
C5 C6 1.372(5) . ?
C6 C7 1.403(5) . ?
C7 C8 1.374(5) . ?
C8 C9 1.449(5) . ?
C9 C10 1.363(5) . ?
C9 C47 1.491(5) . ?
C10 C11 1.460(6) . ?
C11 C12 1.336(6) . ?
C12 C13 1.454(6) . ?
C13 C14 1.427(6) . ?
C14 C15 1.368(6) . ?
C14 C55 1.495(5) . ?
C15 C16 1.443(5) . ?
C16 C17 1.344(6) . ?
C17 C18 1.449(5) . ?
C18 C19 1.348(6) . ?
C19 C20 1.450(5) . ?
C19 C61 1.518(6) . ?
C20 C21 1.370(6) . ?
C21 C22 1.403(5) . ?
C22 C23 1.368(6) . ?
C23 C24 1.444(5) . ?
C24 C25 1.371(5) . ?
C25 C26 1.410(5) . ?
C26 C27 1.377(5) . ?
C27 C28 1.451(5) . ?
C28 C29 1.368(5) . ?
C28 C69 1.494(5) . ?
C29 C30 1.451(5) . ?
C30 C31 1.343(5) . ?
C31 C32 1.443(5) . ?
C32 C33 1.377(5) . ?
C33 C34 1.429(5) . ?
C33 C77 1.495(5) . ?
C34 C35 1.463(5) . ?
C35 C36 1.343(5) . ?
C36 C37 1.458(5) . ?
C37 C38 1.372(5) . ?
C38 C39 1.503(5) . ?
C39 C40 1.396(5) . ?
C39 C44 1.409(6) . ?
C40 C41 1.405(5) . ?
C40 C46 1.499(6) . ?
C41 C42 1.365(6) . ?
C42 C43 1.376(7) . ?
C43 C44 1.389(6) . ?
C44 C45 1.500(6) . ?
C47 C52 1.381(5) . ?
C47 C48 1.394(6) . ?
C48 C49 1.397(6) . ?
C48 C54 1.525(6) . ?
C49 C50 1.360(6) . ?
C50 C51 1.360(6) . ?
C51 C52 1.393(6) . ?
C52 C53 1.495(6) . ?
C55 C60 1.369(6) . ?
C55 C56 1.399(6) . ?
C56 C57 1.382(6) . ?
C57 C58 1.349(7) . ?
C58 C59 1.361(7) . ?
C59 C60 1.391(6) . ?
C61 C66 1.387(6) . ?
C61 C62 1.403(6) . ?
C62 C63 1.371(6) . ?
C62 C68 1.523(6) . ?
C63 C64 1.388(7) . ?
C64 C65 1.385(7) . ?
C65 C66 1.384(6) . ?
C66 C67 1.516(6) . ?
C69 C74 1.395(5) . ?
C69 C70 1.401(5) . ?
C70 C71 1.399(5) . ?
C70 C76 1.507(6) . ?
C71 C72 1.369(6) . ?
C72 C73 1.371(6) . ?
C73 C74 1.401(5) . ?
C74 C75 1.517(5) . ?
C77 C82 1.387(5) . ?
C77 C78 1.396(5) . ?
C78 C79 1.369(5) . ?
C79 C80 1.371(6) . ?
C80 C81 1.384(6) . ?
C81 C82 1.370(5) . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30652945
