#------------------------------------------------------------------------------
#$Date: 2017-10-14 22:58:33 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202018 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/14/8101433.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_8101433
loop_
_publ_author_name
'Thuéry, Pierre'
'Nierlich, Martine'
'Asfari, Zouhair'
'Vicens, Jacques'
_publ_section_title
;Crystal structure of a new calix[4]arene-crown including a diphenylenespacer,
 C₆₈H₆₈O₁₂ · 2CH₃COCH₃
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              129
_journal_page_last               131
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         'C68 H68 O12, C6 H12 O2'
_chemical_formula_structural     'C68 H68 O12, C6 H12 O2'
_chemical_formula_sum            'C74 H80 O14'
_chemical_formula_weight         1193.38
_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                102.612(1)
_cell_angle_beta                 99.963(1)
_cell_angle_gamma                98.882(1)
_cell_formula_units_Z            2
_cell_length_a                   10.2616(8)
_cell_length_b                   14.652(2)
_cell_length_c                   21.824(3)
_cell_measurement_temperature    123(2)
_cell_volume                     3090(1)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.283
_refine_diff_density_rms         0.087
_refine_ls_R_factor_obs          0.0913
_refine_ls_wR_factor_obs         0.2227
_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               8101433
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
O1 O 0.8280(4) 1.2459(3) -0.2646(2) 0.0260(11) Uani 1 d . .
O2 O 1.0105(4) 1.3945(3) -0.3033(2) 0.0255(11) Uani 1 d . .
O3 O 0.9207(4) 1.4016(3) -0.4413(2) 0.0283(11) Uani 1 d . .
O4 O 0.7110(4) 1.1989(3) -0.4863(2) 0.0285(11) Uani 1 d . .
O5 O 0.4362(4) 1.1343(3) -0.4555(2) 0.0343(12) Uani 1 d . .
O6 O 0.3851(4) 1.1630(3) -0.3203(2) 0.0242(11) Uani 1 d . .
O7 O 0.5707(4) 1.3589(3) -0.1578(2) 0.0265(11) Uani 1 d . .
O8 O 0.6660(4) 1.4448(3) -0.0176(2) 0.0277(11) Uani 1 d . .
O9 O 0.7180(4) 1.4172(3) 0.1071(2) 0.0305(12) Uani 1 d . .
O10 O 0.5265(4) 1.2253(3) 0.0425(2) 0.0339(12) Uani 1 d . .
O11 O 0.6379(5) 1.0940(4) -0.0500(3) 0.056(2) Uani 1 d . .
O12 O 0.6006(4) 1.0532(3) -0.1923(2) 0.0234(10) Uani 1 d . .
C1 C 0.9402(6) 1.2357(5) -0.2951(3) 0.028(2) Uani 1 d . .
H1A H 0.9289(6) 1.1700(5) -0.3192(3) 0.033 Uiso 1 calc R .
H1B H 1.0231(6) 1.2511(5) -0.2626(3) 0.033 Uiso 1 calc R .
C2 C 0.9503(6) 1.3001(5) -0.3396(3) 0.027(2) Uani 1 d . .
H2A H 1.0045(6) 1.2781(5) -0.3699(3) 0.033 Uiso 1 calc R .
H2B H 0.8610(6) 1.2990(5) -0.3636(3) 0.033 Uiso 1 calc R .
C3 C 1.0737(6) 1.4530(5) -0.3389(3) 0.028(2) Uani 1 d . .
H3A H 1.1323(6) 1.4183(5) -0.3610(3) 0.033 Uiso 1 calc R .
H3B H 1.1301(6) 1.5098(5) -0.3087(3) 0.033 Uiso 1 calc R .
C4 C 0.9767(6) 1.4836(5) -0.3881(3) 0.030(2) Uani 1 d . .
H4A H 0.9054(6) 1.5066(5) -0.3691(3) 0.035 Uiso 1 calc R .
H4B H 1.0245(6) 1.5346(5) -0.4026(3) 0.035 Uiso 1 calc R .
C5 C 0.8339(6) 1.4132(5) -0.4937(3) 0.028(2) Uani 1 d . .
C6 C 0.7994(6) 1.3362(5) -0.5476(3) 0.023(2) Uani 1 d . .
C7 C 0.7147(6) 1.3442(5) -0.6021(3) 0.029(2) Uani 1 d . .
H7 H 0.6916(6) 1.2935(5) -0.6386(3) 0.035 Uiso 1 calc R .
C8 C 0.6640(6) 1.4260(5) -0.6035(4) 0.035(2) Uani 1 d . .
H8 H 0.6088(6) 1.4310(5) -0.6407(4) 0.042 Uiso 1 calc R .
C9 C 0.6962(7) 1.4996(6) -0.5492(4) 0.040(2) Uani 1 d . .
H9 H 0.6597(7) 1.5538(6) -0.5495(4) 0.047 Uiso 1 calc R .
C10 C 0.7823(6) 1.4954(5) -0.4934(3) 0.032(2) Uani 1 d . .
H10 H 0.8046(6) 1.5463(5) -0.4570(3) 0.038 Uiso 1 calc R .
C11 C 0.8595(6) 1.2501(5) -0.5482(3) 0.0205(15) Uani 1 d . .
C12 C 0.8132(6) 1.1820(5) -0.5166(3) 0.025(2) Uani 1 d . .
C13 C 0.8707(6) 1.1011(5) -0.5175(3) 0.029(2) Uani 1 d . .
H13 H 0.8420(6) 1.0570(5) -0.4953(3) 0.035 Uiso 1 calc R .
C14 C 0.9709(6) 1.0875(5) -0.5518(4) 0.035(2) Uani 1 d . .
H14 H 1.0087(6) 1.0336(5) -0.5529(4) 0.042 Uiso 1 calc R .
C15 C 1.0153(6) 1.1529(5) -0.5841(3) 0.033(2) Uani 1 d . .
H15 H 1.0822(6) 1.1431(5) -0.6072(3) 0.040 Uiso 1 calc R .
C16 C 0.9595(6) 1.2332(5) -0.5819(3) 0.033(2) Uani 1 d . .
H16 H 0.9901(6) 1.2773(5) -0.6037(3) 0.040 Uiso 1 calc R .
C17 C 0.6704(6) 1.1346(5) -0.4485(3) 0.029(2) Uani 1 d . .
H17A H 0.7485(6) 1.1301(5) -0.4180(3) 0.035 Uiso 1 calc R .
H17B H 0.6321(6) 1.0714(5) -0.4764(3) 0.035 Uiso 1 calc R .
C18 C 0.5681(6) 1.1699(5) -0.4133(3) 0.029(2) Uani 1 d . .
H18A H 0.5712(6) 1.1474(5) -0.3746(3) 0.035 Uiso 1 calc R .
H18B H 0.5870(6) 1.2392(5) -0.4011(3) 0.035 Uiso 1 calc R .
C19 C 0.3300(6) 1.1718(6) -0.4311(3) 0.034(2) Uani 1 d . .
H19A H 0.2529(6) 1.1607(6) -0.4664(3) 0.041 Uiso 1 calc R .
H19B H 0.3596(6) 1.2403(6) -0.4142(3) 0.041 Uiso 1 calc R .
C20 C 0.2853(6) 1.1301(5) -0.3792(3) 0.031(2) Uani 1 d . .
H20A H 0.2010(6) 1.1480(5) -0.3722(3) 0.037 Uiso 1 calc R .
H20B H 0.2696(6) 1.0610(5) -0.3930(3) 0.037 Uiso 1 calc R .
C21 C 0.5044(6) 1.4170(5) -0.1155(3) 0.030(2) Uani 1 d . .
H21A H 0.4475(6) 1.3762(5) -0.0970(3) 0.036 Uiso 1 calc R .
H21B H 0.4469(6) 1.4488(5) -0.1402(3) 0.036 Uiso 1 calc R .
C22 C 0.6027(6) 1.4893(5) -0.0632(3) 0.028(2) Uani 1 d . .
H22A H 0.6705(6) 1.5222(5) -0.0811(3) 0.034 Uiso 1 calc R .
H22B H 0.5567(6) 1.5360(5) -0.0421(3) 0.034 Uiso 1 calc R .
C23 C 0.7596(6) 1.5116(5) 0.0344(3) 0.032(2) Uani 1 d . .
H23A H 0.7139(6) 1.5577(5) 0.0564(3) 0.039 Uiso 1 calc R .
H23B H 0.8296(6) 1.5457(5) 0.0183(3) 0.039 Uiso 1 calc R .
C24 C 0.8217(6) 1.4592(5) 0.0803(3) 0.035(2) Uani 1 d . .
H24A H 0.8622(6) 1.4101(5) 0.0578(3) 0.042 Uiso 1 calc R .
H24B H 0.8915(6) 1.5032(5) 0.1142(3) 0.042 Uiso 1 calc R .
C25 C 0.7563(6) 1.3655(5) 0.1503(3) 0.032(2) Uani 1 d . .
C26 C 0.6523(6) 1.3145(5) 0.1707(3) 0.027(2) Uani 1 d . .
C27 C 0.6863(7) 1.2656(5) 0.2172(3) 0.035(2) Uani 1 d . .
H27 H 0.6178(7) 1.2325(5) 0.2316(3) 0.042 Uiso 1 calc R .
C28 C 0.8196(7) 1.2649(6) 0.2425(4) 0.041(2) Uani 1 d . .
H28 H 0.8404(7) 1.2315(6) 0.2735(4) 0.049 Uiso 1 calc R .
C29 C 0.9219(7) 1.3148(6) 0.2210(4) 0.040(2) Uani 1 d . .
H29 H 1.0117(7) 1.3141(6) 0.2370(4) 0.048 Uiso 1 calc R .
C30 C 0.8902(6) 1.3654(5) 0.1759(3) 0.033(2) Uani 1 d . .
H30 H 0.9590(6) 1.3998(5) 0.1625(3) 0.039 Uiso 1 calc R .
C31 C 0.5058(6) 1.3098(5) 0.1437(3) 0.025(2) Uani 1 d . .
C32 C 0.4450(6) 1.2615(5) 0.0803(3) 0.031(2) Uani 1 d . .
C33 C 0.3071(6) 1.2513(5) 0.0583(4) 0.037(2) Uani 1 d . .
H33 H 0.2662(6) 1.2180(5) 0.0162(4) 0.044 Uiso 1 calc R .
C34 C 0.2296(7) 1.2918(6) 0.1001(4) 0.042(2) Uani 1 d . .
H34 H 0.1372(7) 1.2856(6) 0.0855(4) 0.050 Uiso 1 calc R .
C35 C 0.2882(7) 1.3396(5) 0.1613(4) 0.034(2) Uani 1 d . .
H35 H 0.2360(7) 1.3649(5) 0.1890(4) 0.041 Uiso 1 calc R .
C36 C 0.4256(7) 1.3509(5) 0.1826(3) 0.032(2) Uani 1 d . .
H36 H 0.4657(7) 1.3869(5) 0.2242(3) 0.039 Uiso 1 calc R .
C37 C 0.4749(7) 1.1988(5) -0.0248(3) 0.034(2) Uani 1 d . .
H37A H 0.4373(7) 1.2501(5) -0.0379(3) 0.041 Uiso 1 calc R .
H37B H 0.4033(7) 1.1426(5) -0.0360(3) 0.041 Uiso 1 calc R .
C38 C 0.5868(7) 1.1779(6) -0.0595(4) 0.044(2) Uani 1 d . .
H38A H 0.5534(7) 1.1696(6) -0.1052(4) 0.052 Uiso 1 calc R .
H38B H 0.6608(7) 1.2328(6) -0.0450(4) 0.052 Uiso 1 calc R .
C39 C 0.5680(8) 1.0086(6) -0.0952(4) 0.047(2) Uani 1 d . .
H39A H 0.4740(8) 1.0130(6) -0.1068(4) 0.057 Uiso 1 calc R .
H39B H 0.5713(8) 0.9564(6) -0.0746(4) 0.057 Uiso 1 calc R .
C40 C 0.6197(7) 0.9849(5) -0.1549(4) 0.039(2) Uani 1 d . .
H40A H 0.7151(7) 0.9839(5) -0.1439(4) 0.047 Uiso 1 calc R .
H40B H 0.5729(7) 0.9217(5) -0.1803(4) 0.047 Uiso 1 calc R .
C41 C 0.8544(5) 1.2507(5) -0.1984(3) 0.025(2) Uani 1 d . .
C42 C 0.8778(5) 1.1712(5) -0.1770(3) 0.022(2) Uani 1 d . .
C43 C 0.9121(6) 1.1827(5) -0.1099(3) 0.029(2) Uani 1 d . .
H43 H 0.9298(6) 1.1311(5) -0.0938(3) 0.035 Uiso 1 calc R .
C44 C 0.9197(6) 1.2692(5) -0.0684(3) 0.029(2) Uani 1 d . .
H44 H 0.9459(6) 1.2764(5) -0.0243(3) 0.034 Uiso 1 calc R .
C45 C 0.8886(6) 1.3462(5) -0.0914(3) 0.027(2) Uani 1 d . .
H45 H 0.8901(6) 1.4036(5) -0.0626(3) 0.033 Uiso 1 calc R .
C46 C 0.8554(5) 1.3384(5) -0.1571(3) 0.021(2) Uani 1 d . .
C47 C 0.8275(6) 1.4223(5) -0.1827(3) 0.026(2) Uani 1 d . .
H47A H 0.9008(6) 1.4407(5) -0.2030(3) 0.032 Uiso 1 calc R .
H47B H 0.8322(6) 1.4749(5) -0.1461(3) 0.032 Uiso 1 calc R .
C48 C 0.6972(6) 1.4132(5) -0.2297(3) 0.026(2) Uani 1 d . .
C49 C 0.5717(6) 1.3807(4) -0.2157(3) 0.0198(15) Uani 1 d . .
C50 C 0.4500(6) 1.3712(4) -0.2603(3) 0.0204(15) Uani 1 d . .
C51 C 0.4583(6) 1.4022(5) -0.3153(3) 0.026(2) Uani 1 d . .
H51 H 0.3790(6) 1.3992(5) -0.3443(3) 0.031 Uiso 1 calc R .
C52 C 0.5801(6) 1.4373(5) -0.3284(3) 0.030(2) Uani 1 d . .
H52 H 0.5827(6) 1.4588(5) -0.3654(3) 0.036 Uiso 1 calc R .
C53 C 0.6983(6) 1.4402(5) -0.2861(3) 0.030(2) Uani 1 d . .
H53 H 0.7806(6) 1.4609(5) -0.2960(3) 0.036 Uiso 1 calc R .
C54 C 0.3127(5) 1.3277(5) -0.2511(3) 0.025(2) Uani 1 d . .
H54A H 0.2861(5) 1.3745(5) -0.2193(3) 0.030 Uiso 1 calc R .
H54B H 0.2481(5) 1.3170(5) -0.2913(3) 0.030 Uiso 1 calc R .
C55 C 0.2999(5) 1.2354(5) -0.2305(3) 0.023(2) Uani 1 d . .
C56 C 0.3349(5) 1.1546(5) -0.2656(3) 0.024(2) Uani 1 d . .
C57 C 0.3201(6) 1.0681(5) -0.2489(3) 0.030(2) Uani 1 d . .
C58 C 0.2634(6) 1.0638(5) -0.1952(3) 0.029(2) Uani 1 d . .
H58 H 0.2523(6) 1.0070(5) -0.1825(3) 0.035 Uiso 1 calc R .
C59 C 0.2246(6) 1.1401(5) -0.1615(3) 0.027(2) Uani 1 d . .
H59 H 0.1842(6) 1.1345(5) -0.1271(3) 0.033 Uiso 1 calc R .
C60 C 0.2446(6) 1.2253(5) -0.1776(3) 0.028(2) Uani 1 d . .
H60 H 0.2208(6) 1.2779(5) -0.1528(3) 0.034 Uiso 1 calc R .
C61 C 0.3562(6) 0.9773(5) -0.2865(3) 0.031(2) Uani 1 d . .
H61A H 0.3493(6) 0.9301(5) -0.2616(3) 0.037 Uiso 1 calc R .
H61B H 0.2887(6) 0.9522(5) -0.3262(3) 0.037 Uiso 1 calc R .
C62 C 0.4948(6) 0.9868(4) -0.3034(3) 0.022(2) Uani 1 d . .
C63 C 0.6125(6) 1.0240(5) -0.2555(3) 0.024(2) Uani 1 d . .
C64 C 0.7402(6) 1.0326(5) -0.2708(3) 0.025(2) Uani 1 d . .
C65 C 0.7453(6) 0.9964(5) -0.3351(3) 0.028(2) Uani 1 d . .
H65 H 0.8292(6) 1.0000(5) -0.3462(3) 0.033 Uiso 1 calc R .
C66 C 0.6310(6) 0.9555(5) -0.3824(3) 0.030(2) Uani 1 d . .
H66 H 0.6375(6) 0.9302(5) -0.4245(3) 0.035 Uiso 1 calc R .
C67 C 0.5060(6) 0.9530(5) -0.3661(3) 0.031(2) Uani 1 d . .
H67 H 0.4280(6) 0.9279(5) -0.3980(3) 0.037 Uiso 1 calc R .
C68 C 0.8690(6) 1.0761(5) -0.2202(3) 0.028(2) Uani 1 d . .
H68A H 0.8828(6) 1.0319(5) -0.1936(3) 0.033 Uiso 1 calc R .
H68B H 0.9435(6) 1.0807(5) -0.2420(3) 0.033 Uiso 1 calc R .
O13 O 0.2038(7) 1.3312(5) 0.3507(3) 0.081(2) Uani 1 d . .
C69 C 0.2954(8) 1.2949(6) 0.3602(5) 0.048(2) Uani 1 d . .
C70 C 0.3674(9) 1.2973(7) 0.4257(5) 0.077(3) Uani 1 d . .
H70A H 0.4384(40) 1.3530(23) 0.4412(13) 0.116 Uiso 1 calc R .
H70B H 0.4053(52) 1.2411(21) 0.4244(7) 0.116 Uiso 1 calc R .
H70C H 0.3052(16) 1.2993(45) 0.4539(9) 0.116 Uiso 1 calc R .
C71 C 0.3414(9) 1.2394(6) 0.3072(5) 0.066(3) Uani 1 d . .
H71A H 0.3483(55) 1.1777(16) 0.3142(14) 0.099 Uiso 1 calc R .
H71B H 0.4283(26) 1.2720(20) 0.3047(17) 0.099 Uiso 1 calc R .
H71C H 0.2780(29) 1.2319(34) 0.2677(6) 0.099 Uiso 1 calc R .
O14 O 0.2373 0.9019 -0.0769 0.150 Uiso 1 d D .
C72 C 0.1253 0.8951 -0.0774 0.150 Uiso 1 d D .
C73 C 0.0134 0.9098 -0.1266 0.150 Uiso 1 d D .
H73A H -0.0536(106) 0.9338(81) -0.1056(771) 0.225 Uiso 1 calc R .
H73B H -0.0271(24) 0.8501(52) -0.1573(770) 0.225 Uiso 1 calc R .
H73C H 0.0496(83) 0.9548(56) -0.1484(772) 0.225 Uiso 1 calc R .
C74 C 0.0844 0.8855 -0.0199 0.150 Uiso 1 d D .
H74A H 0.0430(5) 0.9379(383) -0.0044(88249) 0.225 Uiso 1 calc R .
H74B H 0.1618(62) 0.8856(1200) 0.0119(68070) 0.225 Uiso 1 calc R .
H74C H 0.0208(95) 0.8266(445) -0.0284(56148) 0.225 Uiso 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
O1 C41 1.407(7) . ?
O1 C1 1.437(7) . ?
O2 C2 1.418(7) . ?
O2 C3 1.431(7) . ?
O3 C5 1.381(7) . ?
O3 C4 1.438(8) . ?
O4 C12 1.360(7) . ?
O4 C17 1.442(7) . ?
O5 C19 1.425(7) . ?
O5 C18 1.447(7) . ?
O6 C56 1.402(7) . ?
O6 C20 1.434(7) . ?
O7 C49 1.370(7) . ?
O7 C21 1.447(7) . ?
O8 C23 1.420(8) . ?
O8 C22 1.425(7) . ?
O9 C25 1.376(8) . ?
O9 C24 1.422(7) . ?
O10 C32 1.358(7) . ?
O10 C37 1.416(7) . ?
O11 C39 1.412(9) . ?
O11 C38 1.450(9) . ?
O12 C63 1.385(7) . ?
O12 C40 1.439(8) . ?
C1 C2 1.499(9) . ?
C3 C4 1.525(8) . ?
C5 C6 1.391(9) . ?
C5 C10 1.388(9) . ?
C6 C7 1.385(9) . ?
C6 C11 1.486(8) . ?
C7 C8 1.383(9) . ?
C8 C9 1.369(10) . ?
C9 C10 1.394(9) . ?
C11 C16 1.384(8) . ?
C11 C12 1.402(9) . ?
C12 C13 1.401(9) . ?
C13 C14 1.386(9) . ?
C14 C15 1.377(9) . ?
C15 C16 1.381(9) . ?
C17 C18 1.494(8) . ?
C19 C20 1.503(9) . ?
C21 C22 1.478(9) . ?
C23 C24 1.506(9) . ?
C25 C26 1.399(9) . ?
C25 C30 1.391(8) . ?
C26 C27 1.390(9) . ?
C26 C31 1.503(8) . ?
C27 C28 1.387(9) . ?
C28 C29 1.394(10) . ?
C29 C30 1.379(10) . ?
C31 C32 1.394(9) . ?
C31 C36 1.391(8) . ?
C32 C33 1.387(8) . ?
C33 C34 1.407(9) . ?
C34 C35 1.347(10) . ?
C35 C36 1.378(9) . ?
C37 C38 1.515(9) . ?
C39 C40 1.483(10) . ?
C41 C42 1.385(9) . ?
C41 C46 1.397(9) . ?
C42 C43 1.410(9) . ?
C42 C68 1.481(9) . ?
C43 C44 1.371(9) . ?
C44 C45 1.390(9) . ?
C45 C46 1.390(9) . ?
C46 C47 1.502(9) . ?
C47 C48 1.505(8) . ?
C48 C53 1.375(9) . ?
C48 C49 1.410(8) . ?
C49 C50 1.412(8) . ?
C50 C51 1.383(8) . ?
C50 C54 1.520(8) . ?
C51 C52 1.379(8) . ?
C52 C53 1.380(9) . ?
C54 C55 1.510(9) . ?
C55 C56 1.396(9) . ?
C55 C60 1.398(8) . ?
C56 C57 1.386(9) . ?
C57 C58 1.404(9) . ?
C57 C61 1.537(9) . ?
C58 C59 1.354(9) . ?
C59 C60 1.364(9) . ?
C61 C62 1.523(8) . ?
C62 C67 1.380(9) . ?
C62 C63 1.399(8) . ?
C63 C64 1.401(8) . ?
C64 C65 1.400(9) . ?
C64 C68 1.517(9) . ?
C65 C66 1.377(9) . ?
C66 C67 1.388(8) . ?
O13 C69 1.160(9) . ?
C69 C71 1.456(11) . ?
C69 C70 1.482(12) . ?
O14 C72 1.14 . ?
C72 C74 1.42 . ?
C72 C73 1.51 . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 21122196
