#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2202390.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_2202390
loop_
_publ_author_name
'Lough, Alan J.'
'Jordan, Robert W.'
'Tam, William'
_publ_section_title
;
Ethyl
4-cyclohexyl-7-(dicyanomethylene)tricyclo[4.2.1.0^2,5^]non-3-ene-3-carboxylate
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              o1675
_journal_page_last               o1676
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          'C21 H24 N2 O2'
_chemical_formula_moiety         'C21 H24 N2 O2'
_chemical_formula_sum            'C21 H24 N2 O2'
_chemical_formula_weight         336.42
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.761(5)
_cell_angle_beta                 90.427(4)
_cell_angle_gamma                93.727(5)
_cell_formula_units_Z            4
_cell_length_a                   11.6420(10)
_cell_length_b                   12.2348(11)
_cell_length_c                   13.5739(13)
_cell_measurement_temperature    150.0(10)
_cell_volume                     1865.1(3)
_diffrn_ambient_temperature      150.0(10)
_exptl_crystal_density_diffrn    1.198
_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               2202390
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
O1A 0.63087(15) 0.34416(16) 0.41158(13) 0.0503(5) Uani d . 1 . . O
O2A 0.67978(16) 0.19217(15) 0.46402(13) 0.0493(5) Uani d . 1 . . O
N1A 0.4473(2) 0.8531(2) 0.9126(2) 0.0728(8) Uani d . 1 . . N
N2A 0.5847(2) 0.6134(2) 1.07078(19) 0.0602(7) Uani d . 1 . . N
C1A 0.6210(2) 0.6322(2) 0.82053(19) 0.0417(6) Uani d . 1 . . C
C2A 0.6176(2) 0.6700(2) 0.72322(19) 0.0480(7) Uani d . 1 . . C
H2AA 0.6622 0.7435 0.7305 0.058 Uiso calc R 1 . . H
H2AB 0.5376 0.6762 0.7012 0.058 Uiso calc R 1 . . H
C3A 0.6747(2) 0.5728(2) 0.64900(19) 0.0445(7) Uani d . 1 . . C
H3AA 0.7023 0.5903 0.5848 0.053 Uiso calc R 1 . . H
C4A 0.5884(2) 0.4691(2) 0.63343(18) 0.0425(6) Uani d . 1 . . C
H4AA 0.5086 0.4804 0.6122 0.051 Uiso calc R 1 . . H
C5A 0.6309(2) 0.3536(2) 0.58707(19) 0.0397(6) Uani d . 1 . . C
C6A 0.6441(2) 0.3254(2) 0.67590(19) 0.0391(6) Uani d . 1 . . C
C7A 0.5992(2) 0.4355(2) 0.73792(18) 0.0389(6) Uani d . 1 . . C
H7AA 0.5245 0.4266 0.7719 0.047 Uiso calc R 1 . . H
C8A 0.6870(2) 0.5277(2) 0.80118(19) 0.0407(6) Uani d . 1 . . C
H8AA 0.7231 0.5107 0.8622 0.049 Uiso calc R 1 . . H
C9A 0.7698(2) 0.5491(2) 0.71847(19) 0.0453(7) Uani d . 1 . . C
H9AA 0.8253 0.6153 0.7443 0.054 Uiso calc R 1 . . H
H9AB 0.8112 0.4815 0.6857 0.054 Uiso calc R 1 . . H
C10A 0.5695(2) 0.6827(2) 0.90694(19) 0.0427(6) Uani d . 1 . . C
C11A 0.5018(3) 0.7786(3) 0.9117(2) 0.0513(7) Uani d . 1 . . C
C12A 0.5779(2) 0.6436(2) 0.9982(2) 0.0455(7) Uani d . 1 . . C
C13A 0.6471(2) 0.2987(2) 0.48004(19) 0.0404(6) Uani d . 1 . . C
C14A 0.6860(3) 0.1280(2) 0.3583(2) 0.0541(8) Uani d . 1 . . C
H14A 0.7441 0.0713 0.3525 0.065 Uiso calc R 1 . . H
H14B 0.7101 0.1797 0.3157 0.065 Uiso calc R 1 . . H
C15A 0.5704(3) 0.0689(3) 0.3207(2) 0.0651(9) Uani d . 1 . . C
H15A 0.5755 0.0265 0.2493 0.098 Uiso calc R 1 . . H
H15B 0.5130 0.1252 0.3262 0.098 Uiso calc R 1 . . H
H15C 0.5474 0.0165 0.3621 0.098 Uiso calc R 1 . . H
C16A 0.6889(2) 0.2286(2) 0.70913(18) 0.0387(6) Uani d . 1 . . C
H16A 0.6803 0.1603 0.6500 0.046 Uiso calc R 1 . . H
C17A 0.8172(2) 0.2512(2) 0.7381(2) 0.0513(7) Uani d . 1 . . C
H17A 0.8605 0.2640 0.6791 0.062 Uiso calc R 1 . . H
H17B 0.8287 0.3205 0.7948 0.062 Uiso calc R 1 . . H
C18A 0.8636(2) 0.1513(2) 0.7706(2) 0.0537(8) Uani d . 1 . . C
H18A 0.8590 0.0838 0.7117 0.064 Uiso calc R 1 . . H
H18B 0.9456 0.1695 0.7920 0.064 Uiso calc R 1 . . H
C19A 0.7962(3) 0.1246(3) 0.8575(2) 0.0576(8) Uani d . 1 . . C
H19A 0.8071 0.1892 0.9187 0.069 Uiso calc R 1 . . H
H19B 0.8257 0.0572 0.8743 0.069 Uiso calc R 1 . . H
C20A 0.6687(3) 0.1019(3) 0.8294(2) 0.0596(8) Uani d . 1 . . C
H20A 0.6259 0.0894 0.8887 0.072 Uiso calc R 1 . . H
H20B 0.6570 0.0323 0.7731 0.072 Uiso calc R 1 . . H
C21A 0.6219(2) 0.2015(2) 0.7965(2) 0.0506(7) Uani d . 1 . . C
H21A 0.5399 0.1829 0.7752 0.061 Uiso calc R 1 . . H
H21B 0.6262 0.2691 0.8552 0.061 Uiso calc R 1 . . H
O1B 0.86733(17) 0.65894(17) 0.98421(14) 0.0579(5) Uani d . 1 . . O
O2B 0.8254(2) 0.80794(16) 1.11036(14) 0.0643(6) Uani d D 1 . . O
N1B 1.0636(3) 0.1454(2) 1.2499(2) 0.0797(9) Uani d . 1 . . N
N2B 0.9171(2) 0.3840(2) 1.5130(2) 0.0620(7) Uani d . 1 . . N
C1B 0.8844(2) 0.3615(2) 1.2538(2) 0.0436(6) Uani d . 1 . . C
C2B 0.8895(3) 0.3266(2) 1.1393(2) 0.0527(7) Uani d . 1 . . C
H2BA 0.8463 0.2527 1.1107 0.063 Uiso calc R 1 . . H
H2BB 0.9700 0.3222 1.1164 0.063 Uiso calc R 1 . . H
C3B 0.8316(3) 0.4233(2) 1.1098(2) 0.0508(7) Uani d . 1 A . C
H3BA 0.8055 0.4066 1.0369 0.061 Uiso calc R 1 . . H
C4B 0.9148(2) 0.5289(2) 1.14604(19) 0.0437(6) Uani d . 1 A . C
H4BA 0.9954 0.5206 1.1215 0.052 Uiso calc R 1 . . H
C5B 0.8688(2) 0.6435(2) 1.15400(19) 0.0430(6) Uani d . 1 . . C
C6B 0.8537(2) 0.6681(2) 1.25495(19) 0.0411(6) Uani d . 1 A . C
C7B 0.9018(2) 0.5587(2) 1.26601(18) 0.0397(6) Uani d . 1 . . C
H7BA 0.9757 0.5688 1.3063 0.048 Uiso calc R 1 A . H
C8B 0.8161(2) 0.4639(2) 1.2821(2) 0.0438(7) Uani d . 1 A . C
H8BA 0.7786 0.4782 1.3498 0.053 Uiso calc R 1 . . H
C9B 0.7344(2) 0.4422(2) 1.1875(2) 0.0506(7) Uani d . 1 . . C
H9BA 0.6808 0.3743 1.1802 0.061 Uiso calc R 1 A . H
H9BB 0.6911 0.5088 1.1859 0.061 Uiso calc R 1 . . H
C10B 0.9365(2) 0.3123(2) 1.3188(2) 0.0427(6) Uani d . 1 . . C
C11B 1.0067(3) 0.2188(3) 1.2815(2) 0.0549(8) Uani d . 1 . . C
C12B 0.9262(2) 0.3528(2) 1.4272(2) 0.0465(7) Uani d . 1 . . C
C13B 0.8538(2) 0.7007(2) 1.0737(2) 0.0498(7) Uani d . 1 A . C
C14B 0.8189(3) 0.8767(3) 1.0381(2) 0.0787(11) Uani d D 1 A 1 C
H14C 0.8970 0.8940 1.0154 0.094 Uiso calc PR 0.50 A 1 H
H14D 0.7718 0.8349 0.9775 0.094 Uiso calc PR 0.50 A 1 H
C15B 0.7691(6) 0.9776(5) 1.0849(5) 0.0676(19) Uiso d PD 0.50 A 1 C
H15D 0.7655 1.0249 1.0367 0.101 Uiso calc PR 0.50 A 1 H
H15E 0.8158 1.0184 1.1449 0.101 Uiso calc PR 0.50 A 1 H
H15F 0.6911 0.9600 1.1057 0.101 Uiso calc PR 0.50 A 1 H
H14E 0.8821 0.8611 0.9892 0.094 Uiso calc PR 0.25 A 2 H
H14F 0.7447 0.8587 0.9993 0.094 Uiso calc PR 0.25 A 2 H
C15* 0.8281(10) 0.9912(4) 1.0924(7) 0.035(2) Uiso d PD 0.25 A 2 C
H15G 0.8261 1.0390 1.0446 0.053 Uiso calc PR 0.25 A 2 H
H15H 0.9009 1.0079 1.1318 0.053 Uiso calc PR 0.25 A 2 H
H15I 0.7637 1.0065 1.1389 0.053 Uiso calc PR 0.25 A 2 H
H14G 0.8279 0.8288 0.9682 0.094 Uiso calc PR 0.25 A 3 H
H14H 0.7422 0.9079 1.0412 0.094 Uiso calc PR 0.25 A 3 H
C15$ 0.9044(11) 0.9660(10) 1.0587(12) 0.094(5) Uiso d PD 0.25 A 3 C
H15J 0.8978 1.0109 1.0088 0.141 Uiso calc PR 0.25 A 3 H
H15K 0.9804 0.9353 1.0544 0.141 Uiso calc PR 0.25 A 3 H
H15L 0.8949 1.0143 1.1274 0.141 Uiso calc PR 0.25 A 3 H
C16B 0.8078(2) 0.7632(2) 1.33363(19) 0.0450(7) Uani d . 1 . . C
H16B 0.7899 0.8241 1.2999 0.054 Uiso calc R 1 A . H
C17B 0.6969(3) 0.7247(3) 1.3775(3) 0.0729(10) Uani d . 1 A . C
H17C 0.6381 0.6980 1.3221 0.087 Uiso calc R 1 . . H
H17D 0.7115 0.6602 1.4065 0.087 Uiso calc R 1 . . H
C18B 0.6511(3) 0.8194(3) 1.4600(3) 0.0905(12) Uani d . 1 . . C
H18C 0.6282 0.8801 1.4292 0.109 Uiso calc R 1 A . H
H18D 0.5817 0.7897 1.4889 0.109 Uiso calc R 1 . . H
C19B 0.7382(3) 0.8683(3) 1.5437(2) 0.0646(8) Uani d . 1 A . C
H19C 0.7544 0.8102 1.5801 0.077 Uiso calc R 1 . . H
H19D 0.7067 0.9329 1.5931 0.077 Uiso calc R 1 . . H
C20B 0.8490(3) 0.9083(2) 1.5017(2) 0.0573(8) Uani d . 1 . . C
H20C 0.9071 0.9350 1.5577 0.069 Uiso calc R 1 A . H
H20D 0.8345 0.9729 1.4728 0.069 Uiso calc R 1 . . H
C21B 0.8954(2) 0.8136(2) 1.4196(2) 0.0553(8) Uani d . 1 A . C
H21C 0.9182 0.7531 1.4507 0.066 Uiso calc R 1 . . H
H21D 0.9651 0.8435 1.3911 0.066 Uiso calc R 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
O1A 0.0574(12) 0.0539(12) 0.0403(11) 0.0020(10) -0.0037(9) 0.0142(10)
O2A 0.0618(12) 0.0462(11) 0.0381(10) 0.0069(10) 0.0000(9) 0.0064(9)
N1A 0.093(2) 0.0675(18) 0.0592(17) 0.0334(17) 0.0031(15) 0.0119(14)
N2A 0.0573(16) 0.0799(19) 0.0493(15) 0.0176(14) 0.0083(12) 0.0239(14)
C1A 0.0413(15) 0.0423(15) 0.0398(15) -0.0040(12) -0.0025(12) 0.0094(12)
C2A 0.0573(18) 0.0455(16) 0.0416(16) 0.0045(14) 0.0024(13) 0.0113(13)
C3A 0.0550(17) 0.0451(16) 0.0352(14) 0.0023(13) 0.0049(12) 0.0137(13)
C4A 0.0441(15) 0.0471(16) 0.0368(14) 0.0045(13) -0.0022(11) 0.0116(13)
C5A 0.0378(14) 0.0414(15) 0.0386(15) 0.0022(12) -0.0019(11) 0.0081(12)
C6A 0.0337(14) 0.0413(15) 0.0415(15) -0.0005(12) -0.0004(11) 0.0100(12)
C7A 0.0380(14) 0.0424(15) 0.0364(14) 0.0000(12) -0.0001(11) 0.0108(12)
C8A 0.0430(15) 0.0432(15) 0.0357(14) 0.0055(12) 0.0015(11) 0.0091(12)
C9A 0.0430(16) 0.0450(16) 0.0447(16) -0.0047(13) 0.0039(12) 0.0076(13)
C10A 0.0442(16) 0.0428(15) 0.0400(15) 0.0067(13) -0.0002(12) 0.0074(13)
C11A 0.0586(19) 0.0523(18) 0.0417(16) 0.0104(16) 0.0024(13) 0.0083(14)
C12A 0.0418(16) 0.0516(17) 0.0426(16) 0.0087(13) 0.0060(12) 0.0097(14)
C13A 0.0370(14) 0.0432(15) 0.0414(15) 0.0011(12) -0.0017(11) 0.0118(13)
C14A 0.067(2) 0.0502(17) 0.0391(16) 0.0077(15) 0.0048(14) -0.0013(14)
C15A 0.080(2) 0.060(2) 0.0473(18) -0.0076(17) -0.0026(16) 0.0027(15)
C16A 0.0399(15) 0.0395(14) 0.0366(14) 0.0060(12) 0.0017(11) 0.0088(12)
C17A 0.0429(16) 0.0502(17) 0.0633(19) 0.0014(13) -0.0039(13) 0.0199(15)
C18A 0.0458(17) 0.0490(17) 0.068(2) 0.0038(14) -0.0082(14) 0.0183(15)
C19A 0.082(2) 0.0492(17) 0.0408(16) 0.0152(16) -0.0090(15) 0.0075(14)
C20A 0.073(2) 0.0584(19) 0.0558(19) 0.0171(17) 0.0235(16) 0.0262(16)
C21A 0.0511(17) 0.0497(17) 0.0552(18) 0.0077(14) 0.0130(13) 0.0194(15)
O1B 0.0724(14) 0.0646(13) 0.0358(11) -0.0059(11) 0.0013(10) 0.0137(10)
O2B 0.1093(18) 0.0435(12) 0.0422(12) -0.0023(12) -0.0111(11) 0.0170(10)
N1B 0.098(2) 0.0675(19) 0.077(2) 0.0302(18) 0.0071(17) 0.0180(16)
N2B 0.0584(16) 0.0795(19) 0.0520(17) 0.0111(14) 0.0025(13) 0.0221(15)
C1B 0.0397(15) 0.0451(15) 0.0463(16) -0.0039(13) 0.0010(12) 0.0137(13)
C2B 0.071(2) 0.0406(16) 0.0440(16) 0.0012(15) -0.0027(14) 0.0069(13)
C3B 0.071(2) 0.0426(16) 0.0365(15) -0.0021(14) -0.0115(14) 0.0070(13)
C4B 0.0489(16) 0.0452(16) 0.0356(14) -0.0035(13) 0.0026(12) 0.0092(13)
C5B 0.0526(17) 0.0413(15) 0.0342(15) -0.0027(13) -0.0008(12) 0.0094(12)
C6B 0.0398(15) 0.0428(15) 0.0399(15) -0.0009(12) -0.0011(11) 0.0099(13)
C7B 0.0401(15) 0.0429(15) 0.0350(14) 0.0011(12) 0.0005(11) 0.0086(12)
C8B 0.0424(15) 0.0489(16) 0.0431(15) 0.0054(13) 0.0023(12) 0.0166(13)
C9B 0.0486(17) 0.0522(17) 0.0550(18) -0.0051(14) -0.0101(14) 0.0231(15)
C10B 0.0421(15) 0.0422(15) 0.0445(16) 0.0035(12) 0.0024(12) 0.0119(13)
C11B 0.062(2) 0.0505(18) 0.0548(19) 0.0144(16) 0.0040(15) 0.0160(15)
C12B 0.0415(16) 0.0518(17) 0.0497(18) 0.0079(13) 0.0003(13) 0.0183(15)
C13B 0.0586(18) 0.0472(17) 0.0425(17) -0.0084(14) -0.0042(14) 0.0126(14)
C14B 0.125(3) 0.056(2) 0.061(2) -0.010(2) -0.023(2) 0.0320(18)
C14* 0.125(3) 0.056(2) 0.061(2) -0.010(2) -0.023(2) 0.0320(18)
C14$ 0.125(3) 0.056(2) 0.061(2) -0.010(2) -0.023(2) 0.0320(18)
C16B 0.0532(17) 0.0451(16) 0.0383(15) 0.0080(13) -0.0019(12) 0.0125(13)
C17B 0.0423(18) 0.080(2) 0.075(2) -0.0031(17) 0.0056(16) -0.0184(19)
C18B 0.051(2) 0.097(3) 0.094(3) 0.004(2) 0.0114(19) -0.030(2)
C19B 0.068(2) 0.0570(19) 0.059(2) 0.0035(17) 0.0172(16) -0.0035(16)
C20B 0.063(2) 0.0506(17) 0.0511(18) 0.0012(15) 0.0094(15) -0.0006(15)
C21B 0.0482(17) 0.0531(18) 0.0529(18) -0.0036(14) 0.0060(14) -0.0064(14)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
O1A C13A . 1.218(3) ?
O2A C13A . 1.347(3) ?
O2A C14A . 1.455(3) ?
N1A C11A . 1.142(3) ?
N2A C12A . 1.140(3) ?
C1A C10A . 1.344(3) ?
C1A C8A . 1.501(3) ?
C1A C2A . 1.508(3) ?
C2A C3A . 1.540(4) ?
C2A H2AA . 0.9900 ?
C2A H2AB . 0.9900 ?
C3A C4A . 1.535(4) ?
C3A C9A . 1.539(3) ?
C3A H3AA . 1.0000 ?
C4A C5A . 1.509(3) ?
C4A C7A . 1.580(3) ?
C4A H4AA . 1.0000 ?
C5A C6A . 1.346(3) ?
C5A C13A . 1.456(3) ?
C6A C16A . 1.493(3) ?
C6A C7A . 1.522(3) ?
C7A C8A . 1.548(4) ?
C7A H7AA . 1.0000 ?
C8A C9A . 1.547(4) ?
C8A H8AA . 1.0000 ?
C9A H9AA . 0.9900 ?
C9A H9AB . 0.9900 ?
C10A C12A . 1.442(4) ?
C10A C11A . 1.445(4) ?
C14A C15A . 1.506(4) ?
C14A H14A . 0.9900 ?
C14A H14B . 0.9900 ?
C15A H15A . 0.9800 ?
C15A H15B . 0.9800 ?
C15A H15C . 0.9800 ?
C16A C21A . 1.519(3) ?
C16A C17A . 1.531(3) ?
C16A H16A . 1.0000 ?
C17A C18A . 1.528(3) ?
C17A H17A . 0.9900 ?
C17A H17B . 0.9900 ?
C18A C19A . 1.514(4) ?
C18A H18A . 0.9900 ?
C18A H18B . 0.9900 ?
C19A C20A . 1.520(4) ?
C19A H19A . 0.9900 ?
C19A H19B . 0.9900 ?
C20A C21A . 1.531(3) ?
C20A H20A . 0.9900 ?
C20A H20B . 0.9900 ?
C21A H21A . 0.9900 ?
C21A H21B . 0.9900 ?
O1B C13B . 1.208(3) ?
O2B C13B . 1.343(3) ?
O2B C14B . 1.451(3) ?
N1B C11B . 1.146(3) ?
N2B C12B . 1.137(3) ?
C1B C10B . 1.350(3) ?
C1B C8B . 1.496(3) ?
C1B C2B . 1.505(4) ?
C2B C3B . 1.534(3) ?
C2B H2BA . 0.9900 ?
C2B H2BB . 0.9900 ?
C3B C4B . 1.536(4) ?
C3B C9B . 1.541(4) ?
C3B H3BA . 1.0000 ?
C4B C5B . 1.511(4) ?
C4B C7B . 1.586(3) ?
C4B H4BA . 1.0000 ?
C5B C6B . 1.341(3) ?
C5B C13B . 1.453(3) ?
C6B C16B . 1.495(4) ?
C6B C7B . 1.525(3) ?
C7B C8B . 1.540(4) ?
C7B H7BA . 1.0000 ?
C8B C9B . 1.549(3) ?
C8B H8BA . 1.0000 ?
C9B H9BA . 0.9900 ?
C9B H9BB . 0.9900 ?
C10B C12B . 1.436(4) ?
C10B C11B . 1.437(4) ?
C14B C15B . 1.400(5) ?
C14B H14C . 0.9900 ?
C14B H14D . 0.9900 ?
C15B H15D . 0.9800 ?
C15B H15E . 0.9800 ?
C15B H15F . 0.9800 ?
C15* H15G . 0.9800 ?
C15* H15H . 0.9800 ?
C15* H15I . 0.9800 ?
C15$ H15J . 0.9800 ?
C15$ H15K . 0.9800 ?
C15$ H15L . 0.9800 ?
C16B C21B . 1.522(4) ?
C16B C17B . 1.523(4) ?
C16B H16B . 1.0000 ?
C17B C18B . 1.519(4) ?
C17B H17C . 0.9900 ?
C17B H17D . 0.9900 ?
C18B C19B . 1.494(4) ?
C18B H18C . 0.9900 ?
C18B H18D . 0.9900 ?
C19B C20B . 1.516(4) ?
C19B H19C . 0.9900 ?
C19B H19D . 0.9900 ?
C20B C21B . 1.520(4) ?
C20B H20C . 0.9900 ?
C20B H20D . 0.9900 ?
C21B H21C . 0.9900 ?
C21B H21D . 0.9900 ?