#------------------------------------------------------------------------------
#$Date: 2022-09-15 03:04:42 +0300 (Thu, 15 Sep 2022) $
#$Revision: 277859 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/01/4300156.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_4300156
loop_
_publ_author_name
'Christopher J. Chang'
'Yongqi Deng'
'Alan F. Heyduk'
'C. K. Chang'
'Daniel G. Nocera'
_publ_section_title
;
Xanthene-Bridged Cofacial Bisporphyrins
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              959
_journal_page_last               966
_journal_paper_doi               10.1021/ic990987+
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C79 H82 Cu2 N8 O'
_chemical_formula_weight         1286.61
_chemical_name_common            Cu2DPX
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.810(2)
_cell_angle_beta                 101.044(2)
_cell_angle_gamma                101.722(2)
_cell_formula_units_Z            2
_cell_length_a                   11.21410(10)
_cell_length_b                   14.9539(5)
_cell_length_c                   20.6915(7)
_cell_measurement_temperature    183(2)
_cell_volume                     3225.7(2)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.325
_refine_ls_R_factor_obs          0.0909
_refine_ls_wR_factor_obs         0.1994
_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               4300156
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Cu1 Cu -0.21685(12) 0.83212(10) 0.74678(7) 0.0317(5) Uani 1 d . .
Cu2 Cu 0.09573(13) 0.88137(10) 0.68768(7) 0.0332(5) Uani 1 d . .
N1 N -0.2176(8) 0.6988(6) 0.7501(4) 0.027(2) Uani 1 d . .
N2 N -0.0580(8) 0.8784(6) 0.8218(4) 0.023(2) Uani 1 d . .
N3 N -0.2240(8) 0.9645(6) 0.7459(5) 0.030(2) Uani 1 d . .
N4 N -0.3777(8) 0.7852(7) 0.6736(5) 0.034(3) Uani 1 d . .
N5 N 0.0973(8) 0.7470(7) 0.6773(5) 0.033(3) Uani 1 d . .
N6 N 0.2549(8) 0.9188(7) 0.7603(4) 0.028(2) Uani 1 d . .
N7 N 0.1000(8) 1.0161(6) 0.6908(4) 0.029(2) Uani 1 d . .
N8 N -0.0654(8) 0.8435(6) 0.6147(4) 0.030(2) Uani 1 d . .
O1 O 0.1837(6) 0.6754(5) 0.8500(4) 0.038(2) Uani 1 d . .
C1 C -0.3028(11) 0.6179(8) 0.7066(6) 0.034(3) Uani 1 d . .
C2 C -0.2771(10) 0.5359(8) 0.7259(6) 0.031(3) Uani 1 d . .
C2A C -0.3556(11) 0.4369(8) 0.6938(6) 0.045(3) Uani 1 d . .
H2AA H -0.3021(11) 0.3926(8) 0.6992(6) 0.055 Uiso 1 calc R .
H2AB H -0.3869(11) 0.4298(8) 0.6445(6) 0.055 Uiso 1 calc R .
C2B C -0.4671(12) 0.4100(9) 0.7241(8) 0.078(5) Uani 1 d . .
H2BA H -0.5143(12) 0.3449(9) 0.7010(8) 0.117 Uiso 1 calc R .
H2BB H -0.5219(12) 0.4526(9) 0.7181(8) 0.117 Uiso 1 calc R .
H2BC H -0.4370(12) 0.4153(9) 0.7727(8) 0.117 Uiso 1 calc R .
C3 C -0.1755(11) 0.5652(8) 0.7810(6) 0.033(3) Uani 1 d . .
C3A C -0.1157(11) 0.4995(9) 0.8135(6) 0.054(4) Uani 1 d . .
H3AA H -0.0455(11) 0.5362(9) 0.8520(6) 0.082 Uiso 1 calc R .
H3AB H -0.0847(11) 0.4597(9) 0.7801(6) 0.082 Uiso 1 calc R .
H3AC H -0.1778(11) 0.4594(9) 0.8298(6) 0.082 Uiso 1 calc R .
C4 C -0.1390(10) 0.6661(8) 0.7961(5) 0.025(3) Uani 1 d . .
C5 C -0.0396(10) 0.7277(8) 0.8498(6) 0.027(3) Uani 1 d . .
C6 C 0.0008(10) 0.8257(8) 0.8596(5) 0.023(3) Uani 1 d . .
C7 C 0.1075(10) 0.8913(8) 0.9127(5) 0.024(3) Uani 1 d . .
C7A C 0.1998(11) 0.8730(8) 0.9680(6) 0.046(4) Uani 1 d . .
H7AA H 0.1817(11) 0.8052(8) 0.9650(6) 0.069 Uiso 1 calc R .
H7AB H 0.1930(11) 0.9070(8) 1.0124(6) 0.069 Uiso 1 calc R .
H7AC H 0.2851(11) 0.8950(8) 0.9628(6) 0.069 Uiso 1 calc R .
C8 C 0.1132(10) 0.9799(8) 0.9052(5) 0.028(3) Uani 1 d . .
C8A C 0.2010(11) 1.0714(7) 0.9467(5) 0.032(3) Uani 1 d . .
H8AA H 0.2067(11) 1.1171(7) 0.9183(5) 0.039 Uiso 1 calc R .
H8AB H 0.2858(11) 1.0615(7) 0.9610(5) 0.039 Uiso 1 calc R .
C8B C 0.1590(11) 1.1128(8) 1.0098(6) 0.047(4) Uani 1 d . .
H8BA H 0.2191(11) 1.1727(8) 1.0353(6) 0.071 Uiso 1 calc R .
H8BB H 0.1552(11) 1.0684(8) 1.0388(6) 0.071 Uiso 1 calc R .
H8BC H 0.0757(11) 1.1237(8) 0.9959(6) 0.071 Uiso 1 calc R .
C9 C 0.0061(11) 0.9688(8) 0.8477(6) 0.031(3) Uani 1 d . .
C10 C -0.0259(11) 1.0480(8) 0.8302(6) 0.039(3) Uani 1 d . .
H10A H 0.0302(11) 1.1080(8) 0.8524(6) 0.047 Uiso 1 calc R .
C11 C -0.1348(11) 1.0457(8) 0.7821(6) 0.028(3) Uani 1 d . .
C12 C -0.1705(11) 1.1290(8) 0.7687(6) 0.037(3) Uani 1 d . .
C12A C -0.0976(11) 1.2277(8) 0.8031(6) 0.050(4) Uani 1 d . .
H12A H -0.0184(11) 1.2272(8) 0.8328(6) 0.075 Uiso 1 calc R .
H12B H -0.1465(11) 1.2595(8) 0.8304(6) 0.075 Uiso 1 calc R .
H12C H -0.0796(11) 1.2615(8) 0.7688(6) 0.075 Uiso 1 calc R .
C13 C -0.2834(12) 1.0949(8) 0.7239(7) 0.046(4) Uani 1 d . .
C13A C -0.4013(25) 1.1609(12) 0.7054(9) 0.149(11) Uani 1 d . .
H13A H -0.4893(25) 1.1239(12) 0.6966(9) 0.179 Uiso 1 calc R .
H13B H -0.3854(25) 1.2228(12) 0.7383(9) 0.179 Uiso 1 calc R .
C13B C -0.3613(14) 1.1647(12) 0.6516(11) 0.119(8) Uani 1 d . .
H13C H -0.4082(14) 1.1995(12) 0.6252(11) 0.179 Uiso 1 calc R .
H13D H -0.3734(14) 1.1006(12) 0.6239(11) 0.179 Uiso 1 calc R .
H13E H -0.2718(14) 1.1972(12) 0.6646(11) 0.179 Uiso 1 calc R .
C14 C -0.3163(12) 0.9969(9) 0.7114(7) 0.051(4) Uani 1 d . .
C15 C -0.4245(14) 0.9363(8) 0.6650(7) 0.075(5) Uani 1 d . .
H15A H -0.4832(14) 0.9647(8) 0.6428(7) 0.090 Uiso 1 calc R .
C16 C -0.4523(12) 0.8408(9) 0.6493(7) 0.057(4) Uani 1 d . .
C17 C -0.5610(15) 0.7770(10) 0.5980(8) 0.088(6) Uani 1 d . .
C17A C -0.7124(18) 0.8184(12) 0.5757(8) 0.108(7) Uani 1 d . .
H17A H -0.7920(18) 0.7688(12) 0.5638(8) 0.130 Uiso 1 calc R .
H17B H -0.7155(18) 0.8775(12) 0.6066(8) 0.130 Uiso 1 calc R .
C17B C -0.6590(15) 0.8292(13) 0.5233(9) 0.141(9) Uani 1 d . .
H17C H -0.7126(15) 0.8532(13) 0.4913(9) 0.211 Uiso 1 calc R .
H17D H -0.6495(15) 0.7681(13) 0.4997(9) 0.211 Uiso 1 calc R .
H17E H -0.5763(15) 0.8741(13) 0.5409(9) 0.211 Uiso 1 calc R .
C18 C -0.5544(12) 0.6896(9) 0.5931(7) 0.050(4) Uani 1 d . .
C18A C -0.6444(12) 0.5997(8) 0.5477(6) 0.062(4) Uani 1 d . .
H18A H -0.6125(12) 0.5455(8) 0.5554(6) 0.093 Uiso 1 calc R .
H18B H -0.6524(12) 0.6013(8) 0.5000(6) 0.093 Uiso 1 calc R .
H18C H -0.7268(12) 0.5940(8) 0.5582(6) 0.093 Uiso 1 calc R .
C19 C -0.4398(12) 0.6944(9) 0.6416(6) 0.041(3) Uani 1 d . .
C20 C -0.4041(10) 0.6160(8) 0.6559(6) 0.037(3) Uani 1 d . .
H20A H -0.4532(10) 0.5559(8) 0.6286(6) 0.044 Uiso 1 calc R .
C21 C 0.0128(11) 0.6673(9) 0.6304(6) 0.040(3) Uani 1 d . .
C22 C 0.0522(11) 0.5834(8) 0.6322(6) 0.036(3) Uani 1 d . .
C22A C -0.0184(11) 0.4866(8) 0.5859(6) 0.047(4) Uani 1 d . .
H22A H -0.0658(11) 0.4941(8) 0.5426(6) 0.056 Uiso 1 calc R .
H22B H 0.0423(11) 0.4495(8) 0.5753(6) 0.056 Uiso 1 calc R .
C22B C -0.1061(13) 0.4356(10) 0.6188(7) 0.073(5) Uani 1 d . .
H22C H -0.1505(13) 0.3735(10) 0.5883(7) 0.109 Uiso 1 calc R .
H22D H -0.1671(13) 0.4719(10) 0.6285(7) 0.109 Uiso 1 calc R .
H22E H -0.0591(13) 0.4276(10) 0.6614(7) 0.109 Uiso 1 calc R .
C23A C 0.2323(11) 0.5364(9) 0.6964(7) 0.060(4) Uani 1 d . .
H23A H 0.3076(11) 0.5686(9) 0.7330(7) 0.090 Uiso 1 calc R .
H23B H 0.2569(11) 0.5076(9) 0.6556(7) 0.090 Uiso 1 calc R .
H23C H 0.1795(11) 0.4873(9) 0.7108(7) 0.090 Uiso 1 calc R .
C23 C 0.1611(12) 0.6056(8) 0.6807(6) 0.036(3) Uani 1 d . .
C24 C 0.1861(10) 0.7065(8) 0.7101(5) 0.027(3) Uani 1 d . .
C25 C 0.2864(10) 0.7602(8) 0.7659(6) 0.029(3) Uani 1 d . .
C26 C 0.3159(10) 0.8603(8) 0.7908(5) 0.027(3) Uani 1 d . .
C27 C 0.4180(10) 0.9194(9) 0.8513(6) 0.034(3) Uani 1 d . .
C27A C 0.5117(11) 0.8930(9) 0.9017(6) 0.051(4) Uani 1 d . .
H27A H 0.4964(11) 0.8242(9) 0.8915(6) 0.076 Uiso 1 calc R .
H27B H 0.5029(11) 0.9172(9) 0.9478(6) 0.076 Uiso 1 calc R .
H27C H 0.5968(11) 0.9206(9) 0.8985(6) 0.076 Uiso 1 calc R .
C28 C 0.4160(10) 1.0087(9) 0.8525(6) 0.036(3) Uani 1 d . .
C28A C 0.5051(10) 1.0988(8) 0.9019(6) 0.043(3) Uani 1 d . .
H28A H 0.5307(10) 1.0863(8) 0.9471(6) 0.051 Uiso 1 calc R .
H28B H 0.4597(10) 1.1491(8) 0.9074(6) 0.051 Uiso 1 calc R .
C28B C 0.6219(12) 1.1337(10) 0.8781(6) 0.066(4) Uani 1 d . .
H28C H 0.6756(12) 1.1907(10) 0.9116(6) 0.099 Uiso 1 calc R .
H28D H 0.5974(12) 1.1482(10) 0.8341(6) 0.099 Uiso 1 calc R .
H28E H 0.6680(12) 1.0846(10) 0.8733(6) 0.099 Uiso 1 calc R .
C29 C 0.3159(11) 1.0099(9) 0.7983(6) 0.033(3) Uani 1 d . .
C30 C 0.2875(11) 1.0915(8) 0.7828(6) 0.037(3) Uani 1 d . .
H30A H 0.3431(11) 1.1501(8) 0.8087(6) 0.044 Uiso 1 calc R .
C31 C 0.1885(11) 1.0953(9) 0.7345(6) 0.033(3) Uani 1 d . .
C32 C 0.1631(12) 1.1808(9) 0.7222(6) 0.040(3) Uani 1 d . .
C32A C 0.2388(12) 1.2790(9) 0.7600(7) 0.063(4) Uani 1 d . .
H32A H 0.3105(12) 1.2757(9) 0.7942(7) 0.094 Uiso 1 calc R .
H32B H 0.1860(12) 1.3130(9) 0.7827(7) 0.094 Uiso 1 calc R .
H32C H 0.2693(12) 1.3123(9) 0.7279(7) 0.094 Uiso 1 calc R .
C33 C 0.0561(12) 1.1553(8) 0.6711(7) 0.037(3) Uani 1 d . .
C33A C -0.0064(12) 1.2174(8) 0.6370(7) 0.050(4) Uani 1 d . .
H33A H 0.0096(12) 1.2794(8) 0.6697(7) 0.060 Uiso 1 calc R .
H33B H -0.0982(12) 1.1893(8) 0.6236(7) 0.060 Uiso 1 calc R .
C33B C 0.0377(13) 1.2324(10) 0.5747(7) 0.071(4) Uani 1 d . .
H33C H -0.0071(13) 1.2736(10) 0.5543(7) 0.107 Uiso 1 calc R .
H33D H 0.0207(13) 1.1715(10) 0.5416(7) 0.107 Uiso 1 calc R .
H33E H 0.1281(13) 1.2620(10) 0.5877(7) 0.107 Uiso 1 calc R .
C34 C 0.0210(11) 1.0553(9) 0.6533(6) 0.033(3) Uani 1 d . .
C35 C -0.0907(11) 1.0004(10) 0.6055(6) 0.042(3) Uani 1 d . .
H35A H -0.1436(11) 1.0331(10) 0.5836(6) 0.051 Uiso 1 calc R .
C36 C -0.1291(11) 0.9031(10) 0.5882(6) 0.041(3) Uani 1 d . .
C37 C -0.2427(11) 0.8475(9) 0.5361(6) 0.045(4) Uani 1 d . .
C37A C -0.3287(11) 0.8904(9) 0.4944(6) 0.049(4) Uani 1 d . .
H37A H -0.4120(11) 0.8447(9) 0.4764(6) 0.059 Uiso 1 calc R .
H37B H -0.3399(11) 0.9473(9) 0.5243(6) 0.059 Uiso 1 calc R .
C37B C -0.2824(13) 0.9175(10) 0.4360(7) 0.070(5) Uani 1 d . .
H37C H -0.3427(13) 0.9451(10) 0.4111(7) 0.106 Uiso 1 calc R .
H37D H -0.2734(13) 0.8613(10) 0.4053(7) 0.106 Uiso 1 calc R .
H37E H -0.2008(13) 0.9638(10) 0.4534(7) 0.106 Uiso 1 calc R .
C38 C -0.2452(11) 0.7561(9) 0.5311(5) 0.033(3) Uani 1 d . .
C38A C -0.3403(10) 0.6692(8) 0.4830(6) 0.050(4) Uani 1 d . .
H38A H -0.3174(10) 0.6122(8) 0.4919(6) 0.075 Uiso 1 calc R .
H38B H -0.3407(10) 0.6705(8) 0.4358(6) 0.075 Uiso 1 calc R .
H38C H -0.4241(10) 0.6689(8) 0.4905(6) 0.075 Uiso 1 calc R .
C39 C -0.1338(11) 0.7541(8) 0.5794(5) 0.029(3) Uani 1 d . .
C40 C -0.0961(11) 0.6755(9) 0.5885(6) 0.042(4) Uani 1 d . .
H40A H -0.1524(11) 0.6173(9) 0.5623(6) 0.051 Uiso 1 calc R .
C41 C 0.1347(11) 0.6580(8) 0.9026(6) 0.033(3) Uani 1 d . .
C42 C 0.0214(10) 0.6856(7) 0.9041(5) 0.024(3) Uani 1 d . .
C43 C -0.0353(11) 0.6734(7) 0.9568(6) 0.038(3) Uani 1 d . .
H43A H -0.1102(11) 0.6928(7) 0.9593(6) 0.046 Uiso 1 calc R .
C44 C 0.0172(11) 0.6330(8) 1.0052(6) 0.042(3) Uani 1 d . .
H44A H -0.0229(11) 0.6234(8) 1.0406(6) 0.050 Uiso 1 calc R .
C45 C 0.1298(11) 0.6056(8) 1.0032(6) 0.043(3) Uani 1 d . .
H45A H 0.1657(11) 0.5793(8) 1.0379(6) 0.052 Uiso 1 calc R .
C46 C 0.1894(11) 0.6164(8) 0.9509(6) 0.036(3) Uani 1 d . .
C47 C 0.3039(10) 0.5815(8) 0.9454(6) 0.032(3) Uani 1 d . .
C47B C 0.4003(11) 0.6104(10) 1.0171(6) 0.066(4) Uani 1 d . .
H47A H 0.4250(11) 0.6793(10) 1.0339(6) 0.099 Uiso 1 calc R .
H47B H 0.4749(11) 0.5872(10) 1.0127(6) 0.099 Uiso 1 calc R .
H47C H 0.3610(11) 0.5826(10) 1.0493(6) 0.099 Uiso 1 calc R .
C47A C 0.2686(11) 0.4763(8) 0.9212(7) 0.059(4) Uani 1 d . .
H47D H 0.3442(11) 0.4540(8) 0.9181(7) 0.088 Uiso 1 calc R .
H47E H 0.2098(11) 0.4568(8) 0.8763(7) 0.088 Uiso 1 calc R .
H47F H 0.2287(11) 0.4491(8) 0.9534(7) 0.088 Uiso 1 calc R .
C48 C 0.3682(10) 0.6243(8) 0.8950(6) 0.030(3) Uani 1 d . .
C49 C 0.4914(11) 0.6201(8) 0.8903(6) 0.041(3) Uani 1 d . .
H49A H 0.5383(11) 0.5924(8) 0.9203(6) 0.049 Uiso 1 calc R .
C50 C 0.5445(13) 0.6554(9) 0.8429(6) 0.053(4) Uani 1 d . .
H50A H 0.6252(13) 0.6481(9) 0.8389(6) 0.064 Uiso 1 calc R .
C51 C 0.4818(11) 0.7017(9) 0.8009(6) 0.043(3) Uani 1 d . .
H51A H 0.5197(11) 0.7278(9) 0.7694(6) 0.052 Uiso 1 calc R .
C52 C 0.3578(10) 0.7089(8) 0.8065(6) 0.028(3) Uani 1 d . .
C53 C 0.3042(10) 0.6666(8) 0.8519(5) 0.030(3) Uani 1 d . .
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
Cu1 N3 2.001(9) . ?
Cu1 N1 2.008(9) . ?
Cu1 N4 2.011(9) . ?
Cu1 N2 2.016(9) . ?
Cu2 N5 1.980(10) . ?
Cu2 N6 1.995(9) . ?
Cu2 N7 1.992(9) . ?
Cu2 N8 2.013(9) . ?
N1 C1 1.393(13) . ?
N1 C4 1.402(12) . ?
N2 C9 1.339(13) . ?
N2 C6 1.389(12) . ?
N3 C14 1.370(13) . ?
N3 C11 1.373(13) . ?
N4 C19 1.355(13) . ?
N4 C16 1.392(14) . ?
N5 C21 1.406(14) . ?
N5 C24 1.406(12) . ?
N6 C26 1.390(12) . ?
N6 C29 1.386(13) . ?
N7 C34 1.366(13) . ?
N7 C31 1.394(14) . ?
N8 C36 1.384(13) . ?
N8 C39 1.370(13) . ?
O1 C41 1.357(12) . ?
O1 C53 1.379(12) . ?
C1 C20 1.382(15) . ?
C1 C2 1.431(15) . ?
C2 C3 1.373(15) . ?
C2 C2A 1.500(15) . ?
C2A C2B 1.52(2) . ?
C3 C4 1.432(14) . ?
C3 C3A 1.494(14) . ?
C4 C5 1.420(15) . ?
C5 C6 1.404(14) . ?
C5 C42 1.514(14) . ?
C6 C7 1.476(14) . ?
C7 C8 1.354(13) . ?
C7 C7A 1.499(14) . ?
C8 C9 1.475(15) . ?
C8 C8A 1.492(15) . ?
C8A C8B 1.528(14) . ?
C9 C10 1.401(15) . ?
C10 C11 1.409(15) . ?
C11 C12 1.446(14) . ?
C12 C13 1.35(2) . ?
C12 C12A 1.487(15) . ?
C13 C14 1.39(2) . ?
C13 C13A 1.83(3) . ?
C13A C13B 1.29(2) . ?
C14 C15 1.40(2) . ?
C15 C16 1.35(2) . ?
C16 C17 1.46(2) . ?
C17 C18 1.31(2) . ?
C17 C17A 1.93(2) . ?
C17A C17B 1.36(2) . ?
C18 C19 1.45(2) . ?
C18 C18A 1.51(2) . ?
C19 C20 1.382(14) . ?
C21 C40 1.40(2) . ?
C21 C22 1.417(15) . ?
C22 C23 1.356(15) . ?
C22 C22A 1.52(2) . ?
C22A C22B 1.48(2) . ?
C23A C23 1.478(15) . ?
C23 C24 1.453(15) . ?
C24 C25 1.414(15) . ?
C25 C26 1.426(14) . ?
C25 C52 1.480(14) . ?
C26 C27 1.499(15) . ?
C27 C28 1.336(14) . ?
C27 C27A 1.503(14) . ?
C28 C29 1.434(15) . ?
C28 C28A 1.54(2) . ?
C28A C28B 1.518(14) . ?
C29 C30 1.404(14) . ?
C30 C31 1.364(14) . ?
C31 C32 1.426(15) . ?
C32 C33 1.37(2) . ?
C32 C32A 1.50(2) . ?
C33 C34 1.416(15) . ?
C33 C33A 1.482(14) . ?
C33A C33B 1.51(2) . ?
C34 C35 1.41(2) . ?
C35 C36 1.38(2) . ?
C36 C37 1.47(2) . ?
C37 C38 1.344(15) . ?
C37 C37A 1.498(14) . ?
C37A C37B 1.501(15) . ?
C38 C39 1.453(15) . ?
C38 C38A 1.522(15) . ?
C39 C40 1.363(15) . ?
C41 C46 1.390(14) . ?
C41 C42 1.418(14) . ?
C42 C43 1.388(14) . ?
C43 C44 1.372(14) . ?
C44 C45 1.411(15) . ?
C45 C46 1.396(15) . ?
C46 C47 1.496(15) . ?
C47 C47A 1.493(15) . ?
C47 C48 1.546(14) . ?
C47 C47B 1.578(15) . ?
C48 C53 1.371(13) . ?
C48 C49 1.417(14) . ?
C49 C50 1.379(15) . ?
C50 C51 1.392(15) . ?
C51 C52 1.441(14) . ?
C52 C53 1.396(14) . ?
