#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/09/7100951.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_7100951
loop_
_publ_author_name
'Xuan Jiang.'
J.C.Bollinger
'Mu-Hyun Baik.'
'Dongwhan Lee.'
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b412152j
_journal_year                    2005
_chemical_formula_moiety         '2(C76 H64 Cu4 N4), C H2 Cl2, C5 H12'
_chemical_formula_sum            'C158 H142 Cl2 Cu8 N8'
_chemical_formula_weight         2732.20
_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                83.271(12)
_cell_angle_beta                 74.874(14)
_cell_angle_gamma                74.361(12)
_cell_formula_units_Z            1
_cell_length_a                   13.666(3)
_cell_length_b                   14.295(2)
_cell_length_c                   19.401(5)
_cell_measurement_temperature    112(2)
_cell_volume                     3518.8(14)
_diffrn_ambient_temperature      112(2)
_exptl_crystal_density_diffrn    1.289
_cod_database_code               7100951
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
Cu1 Cu 0.77998(2) 0.698919(19) 0.360449(14) 0.01936(7) Uani 1 1 d . . .
Cu2 Cu 0.64724(2) 0.860877(19) 0.336514(14) 0.01843(7) Uani 1 1 d . . .
Cu3 Cu 0.70848(2) 0.93894(2) 0.207910(15) 0.01938(7) Uani 1 1 d . . .
Cu4 Cu 0.84900(2) 0.792413(19) 0.239396(16) 0.02220(7) Uani 1 1 d . . .
N5 N 0.75257(15) 0.76618(13) 0.44326(10) 0.0197(4) Uani 1 1 d . . .
C6 C 0.75383(19) 0.69856(16) 0.50396(12) 0.0215(4) Uani 1 1 d . . .
C7 C 0.8443(2) 0.62571(18) 0.50610(14) 0.0286(5) Uani 1 1 d . . .
H7A H 0.9060 0.6242 0.4692 0.034 Uiso 1 1 calc R . .
C8 C 0.8449(2) 0.55566(19) 0.56137(16) 0.0367(6) Uani 1 1 d . . .
H8A H 0.9074 0.5069 0.5628 0.044 Uiso 1 1 calc R . .
C9 C 0.7552(3) 0.5560(2) 0.61481(17) 0.0483(8) Uani 1 1 d . . .
H9A H 0.7556 0.5073 0.6526 0.058 Uiso 1 1 calc R . .
C10 C 0.6653(3) 0.6277(2) 0.61278(19) 0.0533(9) Uani 1 1 d . . .
H10A H 0.6036 0.6285 0.6496 0.064 Uiso 1 1 calc R . .
C11 C 0.6639(2) 0.6988(2) 0.55742(15) 0.0355(6) Uani 1 1 d . . .
H11A H 0.6014 0.7476 0.5562 0.043 Uiso 1 1 calc R . .
C12 C 0.72599(16) 0.86179(15) 0.45158(11) 0.0171(4) Uani 1 1 d . . .
C13 C 0.73227(17) 0.89720(15) 0.51936(11) 0.0173(4) Uani 1 1 d . . .
C14 C 0.64650(18) 0.96061(17) 0.56020(12) 0.0222(5) Uani 1 1 d . . .
H14A H 0.5833 0.9827 0.5447 0.027 Uiso 1 1 calc R . .
C15 C 0.65304(19) 0.99177(18) 0.62367(13) 0.0265(5) Uani 1 1 d . . .
H15A H 0.5941 1.0347 0.6516 0.032 Uiso 1 1 calc R . .
C16 C 0.7452(2) 0.96040(18) 0.64645(13) 0.0272(5) Uani 1 1 d . . .
H16A H 0.7496 0.9820 0.6898 0.033 Uiso 1 1 calc R . .
C17 C 0.83189(19) 0.89673(18) 0.60539(13) 0.0261(5) Uani 1 1 d . . .
H17A H 0.8952 0.8752 0.6208 0.031 Uiso 1 1 calc R . .
C18 C 0.82513(17) 0.86519(16) 0.54245(12) 0.0209(4) Uani 1 1 d . . .
H18A H 0.8838 0.8216 0.5148 0.025 Uiso 1 1 calc R . .
N19 N 0.69343(15) 0.92135(13) 0.39942(10) 0.0192(4) Uani 1 1 d . . .
C20 C 0.68935(18) 1.02206(16) 0.39275(12) 0.0204(4) Uani 1 1 d . . .
C21 C 0.7570(2) 1.06372(18) 0.41484(13) 0.0270(5) Uani 1 1 d . . .
H21A H 0.8086 1.0237 0.4374 0.032 Uiso 1 1 calc R . .
C22 C 0.7494(2) 1.16293(19) 0.40413(15) 0.0364(6) Uani 1 1 d . . .
H22A H 0.7952 1.1902 0.4202 0.044 Uiso 1 1 calc R . .
C23 C 0.6757(3) 1.2226(2) 0.37025(15) 0.0408(7) Uani 1 1 d . . .
H23A H 0.6703 1.2905 0.3635 0.049 Uiso 1 1 calc R . .
C24 C 0.6104(2) 1.18184(19) 0.34651(15) 0.0370(6) Uani 1 1 d . . .
H24A H 0.5605 1.2219 0.3225 0.044 Uiso 1 1 calc R . .
C25 C 0.61709(19) 1.08258(18) 0.35751(13) 0.0271(5) Uani 1 1 d . . .
H25A H 0.5717 1.0556 0.3407 0.033 Uiso 1 1 calc R . .
N26 N 0.56550(15) 0.80489(14) 0.29647(10) 0.0193(4) Uani 1 1 d . . .
C27 C 0.53354(17) 0.72209(17) 0.33358(12) 0.0214(4) Uani 1 1 d . . .
C28 C 0.54223(19) 0.63852(17) 0.29974(13) 0.0255(5) Uani 1 1 d . . .
H28A H 0.5706 0.6352 0.2496 0.031 Uiso 1 1 calc R . .
C29 C 0.5097(2) 0.56019(19) 0.33876(15) 0.0334(6) Uani 1 1 d . . .
H29A H 0.5144 0.5042 0.3149 0.040 Uiso 1 1 calc R . .
C30 C 0.4704(2) 0.5626(2) 0.41214(15) 0.0371(6) Uani 1 1 d . . .
H30A H 0.4476 0.5089 0.4386 0.045 Uiso 1 1 calc R . .
C31 C 0.4646(2) 0.6436(2) 0.44621(15) 0.0378(6) Uani 1 1 d . . .
H31A H 0.4388 0.6454 0.4966 0.045 Uiso 1 1 calc R . .
C32 C 0.4964(2) 0.72309(19) 0.40753(13) 0.0289(5) Uani 1 1 d . . .
H32A H 0.4926 0.7784 0.4318 0.035 Uiso 1 1 calc R . .
C33 C 0.53895(17) 0.84368(16) 0.23627(11) 0.0176(4) Uani 1 1 d . . .
C34 C 0.45480(17) 0.81756(15) 0.21170(11) 0.0180(4) Uani 1 1 d . . .
C35 C 0.35845(18) 0.81704(17) 0.25803(12) 0.0218(4) Uani 1 1 d . . .
H35A H 0.3452 0.8330 0.3063 0.026 Uiso 1 1 calc R . .
C36 C 0.28137(19) 0.79319(19) 0.23396(13) 0.0280(5) Uani 1 1 d . . .
H36A H 0.2151 0.7943 0.2656 0.034 Uiso 1 1 calc R . .
C37 C 0.3008(2) 0.7679(2) 0.16422(14) 0.0309(6) Uani 1 1 d . . .
H37A H 0.2484 0.7505 0.1482 0.037 Uiso 1 1 calc R . .
C38 C 0.3970(2) 0.76795(19) 0.11751(13) 0.0274(5) Uani 1 1 d . . .
H38A H 0.4102 0.7508 0.0695 0.033 Uiso 1 1 calc R . .
C39 C 0.47415(18) 0.79318(17) 0.14100(12) 0.0223(5) Uani 1 1 d . . .
H39A H 0.5398 0.7938 0.1089 0.027 Uiso 1 1 calc R . .
N40 N 0.58794(14) 0.90840(14) 0.19834(10) 0.0194(4) Uani 1 1 d . . .
C41 C 0.54568(17) 0.97633(16) 0.14683(12) 0.0199(4) Uani 1 1 d . . .
C42 C 0.4496(2) 1.0430(2) 0.16704(16) 0.0385(7) Uani 1 1 d . . .
H42A H 0.4068 1.0385 0.2139 0.046 Uiso 1 1 calc R . .
C43 C 0.4164(2) 1.1162(2) 0.11824(18) 0.0474(8) Uani 1 1 d . . .
H43A H 0.3508 1.1619 0.1320 0.057 Uiso 1 1 calc R . .
C44 C 0.4781(2) 1.1230(2) 0.04992(15) 0.0353(6) Uani 1 1 d . . .
H44A H 0.4549 1.1731 0.0168 0.042 Uiso 1 1 calc R . .
C45 C 0.5737(2) 1.0567(2) 0.02983(14) 0.0314(6) Uani 1 1 d . . .
H45A H 0.6162 1.0613 -0.0171 0.038 Uiso 1 1 calc R . .
C46 C 0.6075(2) 0.98361(18) 0.07803(13) 0.0260(5) Uani 1 1 d . . .
H46A H 0.6733 0.9382 0.0640 0.031 Uiso 1 1 calc R . .
N47 N 0.82078(14) 0.99700(13) 0.19356(10) 0.0199(4) Uani 1 1 d . . .
C48 C 0.81418(19) 1.07130(16) 0.13765(13) 0.0227(5) Uani 1 1 d . . .
C49 C 0.8924(2) 1.0700(2) 0.07533(14) 0.0316(6) Uani 1 1 d . . .
H49A H 0.9576 1.0230 0.0711 0.038 Uiso 1 1 calc R . .
C50 C 0.8755(3) 1.1372(2) 0.01903(16) 0.0451(8) Uani 1 1 d . . .
H50A H 0.9293 1.1359 -0.0235 0.054 Uiso 1 1 calc R . .
C51 C 0.7816(3) 1.2056(2) 0.02447(17) 0.0467(8) Uani 1 1 d . . .
H51A H 0.7705 1.2512 -0.0142 0.056 Uiso 1 1 calc R . .
C52 C 0.7042(3) 1.2075(2) 0.08579(18) 0.0417(7) Uani 1 1 d . . .
H52A H 0.6392 1.2546 0.0894 0.050 Uiso 1 1 calc R . .
C53 C 0.7196(2) 1.14147(18) 0.14278(15) 0.0307(5) Uani 1 1 d . . .
H53A H 0.6656 1.1441 0.1854 0.037 Uiso 1 1 calc R . .
C54 C 0.90188(17) 0.96879(16) 0.22309(12) 0.0189(4) Uani 1 1 d . . .
C55 C 0.97764(17) 1.03048(16) 0.21373(12) 0.0203(4) Uani 1 1 d . . .
C56 C 1.08410(19) 0.99152(19) 0.18624(13) 0.0266(5) Uani 1 1 d . . .
H56A H 1.1083 0.9266 0.1713 0.032 Uiso 1 1 calc R . .
C57 C 1.1546(2) 1.0472(2) 0.18065(14) 0.0345(6) Uani 1 1 d . . .
H57A H 1.2272 1.0210 0.1613 0.041 Uiso 1 1 calc R . .
C58 C 1.1189(2) 1.1413(2) 0.20339(14) 0.0359(6) Uani 1 1 d . . .
H58A H 1.1675 1.1787 0.2013 0.043 Uiso 1 1 calc R . .
C59 C 1.0127(2) 1.1814(2) 0.22922(14) 0.0331(6) Uani 1 1 d . . .
H59A H 0.9888 1.2466 0.2436 0.040 Uiso 1 1 calc R . .
C60 C 0.9412(2) 1.12612(17) 0.23408(12) 0.0238(5) Uani 1 1 d . . .
H60A H 0.8683 1.1535 0.2511 0.029 Uiso 1 1 calc R . .
N61 N 0.91461(15) 0.88317(14) 0.26057(11) 0.0220(4) Uani 1 1 d . . .
C62 C 0.97998(18) 0.85480(18) 0.30989(14) 0.0266(5) Uani 1 1 d . . .
C63 C 1.0023(2) 0.9182(2) 0.34956(13) 0.0302(5) Uani 1 1 d . . .
H63A H 0.9740 0.9863 0.3437 0.036 Uiso 1 1 calc R . .
C64 C 1.0653(2) 0.8838(2) 0.39740(15) 0.0403(7) Uani 1 1 d . . .
H64A H 1.0807 0.9288 0.4228 0.048 Uiso 1 1 calc R . .
C65 C 1.1056(2) 0.7863(3) 0.40871(17) 0.0454(8) Uani 1 1 d . . .
H65A H 1.1493 0.7634 0.4412 0.054 Uiso 1 1 calc R . .
C66 C 1.0815(2) 0.7222(2) 0.37201(18) 0.0485(9) Uani 1 1 d . . .
H66A H 1.1075 0.6543 0.3803 0.058 Uiso 1 1 calc R . .
C67 C 1.0193(2) 0.7549(2) 0.32265(17) 0.0371(7) Uani 1 1 d . . .
H67A H 1.0038 0.7093 0.2978 0.044 Uiso 1 1 calc R . .
N68 N 0.82770(16) 0.69257(14) 0.19381(10) 0.0220(4) Uani 1 1 d . . .
C69 C 0.81618(19) 0.71160(17) 0.12235(12) 0.0244(5) Uani 1 1 d . . .
C70 C 0.7481(2) 0.67608(18) 0.09600(13) 0.0284(5) Uani 1 1 d . . .
H70A H 0.7070 0.6364 0.1262 0.034 Uiso 1 1 calc R . .
C71 C 0.7403(2) 0.6985(2) 0.02590(14) 0.0346(6) Uani 1 1 d . . .
H71A H 0.6950 0.6728 0.0080 0.042 Uiso 1 1 calc R . .
C72 C 0.7978(2) 0.7580(2) -0.01839(14) 0.0402(7) Uani 1 1 d . . .
H72A H 0.7920 0.7730 -0.0664 0.048 Uiso 1 1 calc R . .
C73 C 0.8636(2) 0.7956(2) 0.00734(14) 0.0369(6) Uani 1 1 d . . .
H73A H 0.9027 0.8369 -0.0228 0.044 Uiso 1 1 calc R . .
C74 C 0.8726(2) 0.77291(18) 0.07715(14) 0.0310(6) Uani 1 1 d . . .
H74A H 0.9176 0.7993 0.0947 0.037 Uiso 1 1 calc R . .
C75 C 0.83224(17) 0.60487(15) 0.22704(12) 0.0197(4) Uani 1 1 d . . .
C76 C 0.8522(2) 0.51631(16) 0.18691(12) 0.0234(5) Uani 1 1 d . . .
C77 C 0.9341(2) 0.49759(19) 0.12583(14) 0.0336(6) Uani 1 1 d . . .
H77A H 0.9773 0.5417 0.1095 0.040 Uiso 1 1 calc R . .
C78 C 0.9524(3) 0.4147(2) 0.08885(16) 0.0468(8) Uani 1 1 d . . .
H78A H 1.0087 0.4021 0.0476 0.056 Uiso 1 1 calc R . .
C79 C 0.8898(3) 0.3505(2) 0.11145(19) 0.0517(9) Uani 1 1 d . . .
H79A H 0.9028 0.2939 0.0859 0.062 Uiso 1 1 calc R . .
C80 C 0.8078(3) 0.3689(2) 0.17145(19) 0.0458(8) Uani 1 1 d . . .
H80A H 0.7640 0.3251 0.1865 0.055 Uiso 1 1 calc R . .
C81 C 0.7887(2) 0.45079(17) 0.21014(15) 0.0293(5) Uani 1 1 d . . .
H81A H 0.7332 0.4622 0.2519 0.035 Uiso 1 1 calc R . .
N82 N 0.82102(15) 0.59759(13) 0.29739(10) 0.0196(4) Uani 1 1 d . . .
C83 C 0.85513(18) 0.50665(15) 0.33370(12) 0.0202(4) Uani 1 1 d . . .
C84 C 0.95899(19) 0.45232(17) 0.31477(13) 0.0241(5) Uani 1 1 d . . .
H84A H 1.0066 0.4729 0.2746 0.029 Uiso 1 1 calc R . .
C85 C 0.9925(2) 0.36807(18) 0.35483(14) 0.0292(5) Uani 1 1 d . . .
H85A H 1.0631 0.3310 0.3417 0.035 Uiso 1 1 calc R . .
C86 C 0.9243(2) 0.33787(18) 0.41346(14) 0.0314(6) Uani 1 1 d . . .
H86A H 0.9476 0.2802 0.4406 0.038 Uiso 1 1 calc R . .
C87 C 0.8219(2) 0.39199(18) 0.43255(14) 0.0306(5) Uani 1 1 d . . .
H87A H 0.7747 0.3714 0.4730 0.037 Uiso 1 1 calc R . .
C88 C 0.7873(2) 0.47638(17) 0.39298(13) 0.0252(5) Uani 1 1 d . . .
H88A H 0.7168 0.5133 0.4067 0.030 Uiso 1 1 calc R . .
Cl01 Cl 0.8666(3) 0.4011(4) 0.8520(3) 0.1330(19) Uani 0.50 1 d PU . .
C102 C 0.7557(6) 0.6370(6) 0.8028(4) 0.078(2) Uani 0.90 1 d PU . .
C103 C 0.4621(10) 0.4741(8) 0.8639(7) 0.130(4) Uani 0.75 1 d PU . .
C104 C 0.4307(8) 0.4977(6) 0.9259(6) 0.121(3) Uani 0.75 1 d PU . .
C105 C 0.7986(9) 0.4575(8) 0.9416(8) 0.145(4) Uani 0.65 1 d PU . .
C106 C 0.6817(7) 0.4660(7) 0.9643(10) 0.173(6) Uani 0.60 1 d PU . .
C107 C 0.8286(14) 0.4305(13) 0.8160(8) 0.157(7) Uani 0.60 1 d PU . .
C108 C 0.7910(10) 0.5390(14) 0.8715(8) 0.121(5) Uani 0.50 1 d PU . .
C109 C 0.5290(17) 0.4990(13) 0.9471(11) 0.146(6) Uani 0.40 1 d PU . .
C110 C 0.7728(12) 0.6041(10) 0.8376(8) 0.107(5) Uani 0.60 1 d PU . .
C111 C 0.6028(16) 0.4389(9) 0.9876(9) 0.135(6) Uani 0.45 1 d PU . .
C112 C 0.601(6) 0.499(4) 0.825(3) 0.182(16) Uani 0.15 1 d PU . .
C113 C 0.7473(18) 0.6874(16) 0.7698(13) 0.120(9) Uani 0.30 1 d PU . .
C114 C 0.483(3) 0.534(2) 0.8498(15) 0.162(8) Uani 0.40 1 d PU . .
C115 C 0.565(2) 0.5918(15) 0.8153(8) 0.253(9) Uani 0.70 1 d PU . .
C116 C 0.5313(9) 0.6577(10) 0.7957(4) 0.219(8) Uani 0.85 1 d PU . .
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 N5 1.8708(19) . ?
Cu1 N82 1.8785(18) . ?
Cu1 Cu2 2.6057(6) . ?
Cu1 Cu4 2.6419(7) . ?
Cu2 N26 1.8900(19) . ?
Cu2 N19 1.8917(19) . ?
Cu2 Cu3 2.6330(7) . ?
Cu2 Cu4 2.8942(8) . ?
Cu3 N40 1.8722(19) . ?
Cu3 N47 1.8790(19) . ?
Cu3 Cu4 2.5674(6) . ?
Cu4 N68 1.886(2) . ?
Cu4 N61 1.897(2) . ?
N5 C12 1.334(3) . ?
N5 C6 1.434(3) . ?
C6 C11 1.385(4) . ?
C6 C7 1.392(3) . ?
C7 C8 1.379(4) . ?
C8 C9 1.383(4) . ?
C9 C10 1.378(5) . ?
C10 C11 1.390(4) . ?
C12 N19 1.333(3) . ?
C12 C13 1.494(3) . ?
C13 C14 1.391(3) . ?
C13 C18 1.398(3) . ?
C14 C15 1.389(3) . ?
C15 C16 1.386(3) . ?
C16 C17 1.401(3) . ?
C17 C18 1.383(3) . ?
N19 C20 1.417(3) . ?
C20 C25 1.394(3) . ?
C20 C21 1.398(3) . ?
C21 C22 1.389(3) . ?
C22 C23 1.387(4) . ?
C23 C24 1.381(5) . ?
C24 C25 1.391(4) . ?
N26 C33 1.328(3) . ?
N26 C27 1.423(3) . ?
C27 C32 1.392(3) . ?
C27 C28 1.393(3) . ?
C28 C29 1.385(3) . ?
C29 C30 1.385(4) . ?
C30 C31 1.374(4) . ?
C31 C32 1.392(4) . ?
C33 N40 1.328(3) . ?
C33 C34 1.499(3) . ?
C34 C35 1.388(3) . ?
C34 C39 1.395(3) . ?
C35 C36 1.390(3) . ?
C36 C37 1.381(4) . ?
C37 C38 1.388(4) . ?
C38 C39 1.395(3) . ?
N40 C41 1.431(3) . ?
C41 C42 1.389(3) . ?
C41 C46 1.390(3) . ?
C42 C43 1.391(4) . ?
C43 C44 1.381(4) . ?
C44 C45 1.382(4) . ?
C45 C46 1.384(3) . ?
N47 C54 1.325(3) . ?
N47 C48 1.429(3) . ?
C48 C49 1.387(4) . ?
C48 C53 1.394(4) . ?
C49 C50 1.391(4) . ?
C50 C51 1.375(5) . ?
C51 C52 1.367(5) . ?
C52 C53 1.389(4) . ?
C54 N61 1.342(3) . ?
C54 C55 1.496(3) . ?
C55 C60 1.389(3) . ?
C55 C56 1.392(3) . ?
C56 C57 1.383(4) . ?
C57 C58 1.384(4) . ?
C58 C59 1.388(4) . ?
C59 C60 1.393(3) . ?
N61 C62 1.428(3) . ?
C62 C63 1.394(4) . ?
C62 C67 1.401(3) . ?
C63 C64 1.387(4) . ?
C64 C65 1.368(5) . ?
C65 C66 1.376(5) . ?
C66 C67 1.401(4) . ?
N68 C75 1.334(3) . ?
N68 C69 1.422(3) . ?
C69 C70 1.396(4) . ?
C69 C74 1.401(3) . ?
C70 C71 1.385(4) . ?
C71 C72 1.385(4) . ?
C72 C73 1.379(5) . ?
C73 C74 1.384(4) . ?
C75 N82 1.328(3) . ?
C75 C76 1.489(3) . ?
C76 C77 1.396(4) . ?
C76 C81 1.403(4) . ?
C77 C78 1.388(4) . ?
C78 C79 1.379(5) . ?
C79 C80 1.382(5) . ?
C80 C81 1.393(4) . ?
N82 C83 1.426(3) . ?
C83 C88 1.383(3) . ?
C83 C84 1.397(3) . ?
C84 C85 1.391(3) . ?
C85 C86 1.378(4) . ?
C86 C87 1.381(4) . ?
C87 C88 1.390(3) . ?
C7 H7A 0.9500 . ?
C8 H8A 0.9500 . ?
C9 H9A 0.9500 . ?
C10 H10A 0.9500 . ?
C11 H11A 0.9500 . ?
C14 H14A 0.9500 . ?
C15 H15A 0.9500 . ?
C16 H16A 0.9500 . ?
C17 H17A 0.9500 . ?
C18 H18A 0.9500 . ?
C21 H21A 0.9500 . ?
C22 H22A 0.9500 . ?
C23 H23A 0.9500 . ?
C24 H24A 0.9500 . ?
C25 H25A 0.9500 . ?
C28 H28A 0.9500 . ?
C29 H29A 0.9500 . ?
C30 H30A 0.9500 . ?
C31 H31A 0.9500 . ?
C32 H32A 0.9500 . ?
C35 H35A 0.9500 . ?
C36 H36A 0.9500 . ?
C37 H37A 0.9500 . ?
C38 H38A 0.9500 . ?
C39 H39A 0.9500 . ?
C42 H42A 0.9500 . ?
C43 H43A 0.9500 . ?
C44 H44A 0.9500 . ?
C45 H45A 0.9500 . ?
C46 H46A 0.9500 . ?
C49 H49A 0.9500 . ?
C50 H50A 0.9500 . ?
C51 H51A 0.9500 . ?
C52 H52A 0.9500 . ?
C53 H53A 0.9500 . ?
C56 H56A 0.9500 . ?
C57 H57A 0.9500 . ?
C58 H58A 0.9500 . ?
C59 H59A 0.9500 . ?
C60 H60A 0.9500 . ?
C63 H63A 0.9500 . ?
C64 H64A 0.9500 . ?
C65 H65A 0.9500 . ?
C66 H66A 0.9500 . ?
C67 H67A 0.9500 . ?
C70 H70A 0.9500 . ?
C71 H71A 0.9500 . ?
C72 H72A 0.9500 . ?
C73 H73A 0.9500 . ?
C74 H74A 0.9500 . ?
C77 H77A 0.9500 . ?
C78 H78A 0.9500 . ?
C79 H79A 0.9500 . ?
C80 H80A 0.9500 . ?
C81 H81A 0.9500 . ?
C84 H84A 0.9500 . ?
C85 H85A 0.9500 . ?
C86 H86A 0.9500 . ?
C87 H87A 0.9500 . ?
C88 H88A 0.9500 . ?
