#------------------------------------------------------------------------------
#$Date: 2022-09-14 23:33:16 +0300 (Wed, 14 Sep 2022) $
#$Revision: 277842 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/02/06/4020620.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_4020620
loop_
_publ_author_name
'Leo A. Paquette'
'Zuosheng Liu'
'Charla Ramsey'
'Judith C. Gallucci'
_publ_section_title
;
 Competitive Stereochemical Control Operative during
 Conrotatory Electrocyclization of Helically Equilibrating
 Diquinanyl-Substituted 1,3,5,7-Octatetraenyl Bisenolates
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8154
_journal_page_last               8161
_journal_paper_doi               10.1021/jo0513919
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C31 H39 N1 O7'
_chemical_formula_sum            'C31 H39 N O7'
_chemical_formula_weight         537.63
_chemical_name_common            'Paquette 1304'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                115.918(3)
_cell_angle_beta                 90.979(3)
_cell_angle_gamma                107.241(5)
_cell_formula_units_Z            4
_cell_length_a                   14.199(1)
_cell_length_b                   15.373(1)
_cell_length_c                   15.704(2)
_cell_measurement_temperature    150(2)
_cell_measurement_wavelength     0.71073
_cell_volume                     2901.4(5)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.231
_cod_database_code               4020620
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
O1A O 0.1321(2) 1.0334(2) 0.15022(16) 0.0784(8) Uani 1 1 d . . .
O2A O 0.22553(17) 0.94180(17) 0.09123(14) 0.0561(6) Uani 1 1 d . . .
O3A O 0.30025(13) 1.10949(13) 0.60167(12) 0.0369(4) Uani 1 1 d . . .
O4A O 0.35309(11) 0.97431(11) 0.52884(10) 0.0244(3) Uani 1 1 d . . .
O5A O 0.51556(12) 1.14252(12) 0.68470(12) 0.0312(4) Uani 1 1 d . . .
O6A O 0.41802(13) 1.20749(13) 0.86018(12) 0.0408(4) Uani 1 1 d . . .
O7A O 0.23498(12) 1.02134(13) 0.81474(11) 0.0327(4) Uani 1 1 d . . .
N1A N 0.19059(18) 0.99274(19) 0.15853(17) 0.0452(6) Uani 1 1 d . . .
C1A C 0.37965(16) 0.97862(17) 0.62084(15) 0.0228(5) Uani 1 1 d . . .
C2A C 0.44005(16) 1.08874(17) 0.69697(16) 0.0249(5) Uani 1 1 d . . .
C3A C 0.39234(17) 1.11275(17) 0.78124(16) 0.0271(5) Uani 1 1 d . . .
C4A C 0.30760(16) 1.03324(18) 0.76343(16) 0.0256(5) Uani 1 1 d . . .
C5A C 0.28986(16) 0.94320(17) 0.66660(16) 0.0241(5) Uani 1 1 d . . .
H5A H 0.2254 0.9291 0.628 0.029 Uiso 1 1 calc R . .
C6A C 0.29386(17) 0.84390(18) 0.66776(17) 0.0283(5) Uani 1 1 d . . .
H6A1 H 0.2714 0.8404 0.7259 0.034 Uiso 1 1 calc R . .
H6A2 H 0.251 0.782 0.6101 0.034 Uiso 1 1 calc R . .
C7A C 0.40547(16) 0.85250(17) 0.66810(16) 0.0250(5) Uani 1 1 d . . .
C8A C 0.46512(18) 0.91273(18) 0.77212(17) 0.0309(5) Uani 1 1 d . . .
H8A1 H 0.5277 0.9663 0.7772 0.037 Uiso 1 1 calc R . .
H8A2 H 0.4246 0.9457 0.8184 0.037 Uiso 1 1 calc R . .
C9A C 0.4876(2) 0.8312(2) 0.79047(19) 0.0444(7) Uani 1 1 d . . .
H9A1 H 0.4277 0.7887 0.8032 0.053 Uiso 1 1 calc R . .
H9A2 H 0.5429 0.8625 0.8454 0.053 Uiso 1 1 calc R . .
C10A C 0.5180(2) 0.76817(19) 0.69661(19) 0.0403(6) Uani 1 1 d . . .
H10A H 0.5823 0.8142 0.6924 0.048 Uiso 1 1 calc R . .
C11A C 0.43707(17) 0.75276(17) 0.61826(17) 0.0283(5) Uani 1 1 d . . .
C12A C 0.48123(18) 0.75802(18) 0.53000(18) 0.0309(5) Uani 1 1 d . . .
H12A H 0.5532 0.7662 0.5373 0.037 Uiso 1 1 calc R . .
H12B H 0.4456 0.6946 0.4702 0.037 Uiso 1 1 calc R . .
C13A C 0.46693(16) 0.84942(17) 0.52717(17) 0.0264(5) Uani 1 1 d . . .
H13A H 0.482 0.8678 0.4773 0.032 Uiso 1 1 calc R . .
C14A C 0.43078(15) 0.90136(16) 0.60263(16) 0.0226(5) Uani 1 1 d . . .
C15A C 0.31204(16) 1.04285(18) 0.52913(17) 0.0261(5) Uani 1 1 d . . .
C16A C 0.28219(16) 1.02760(17) 0.43112(17) 0.0251(5) Uani 1 1 d . . .
C17A C 0.23411(17) 1.09139(19) 0.42328(18) 0.0313(5) Uani 1 1 d . . .
H17A H 0.2227 1.1429 0.4795 0.038 Uiso 1 1 calc R . .
C18A C 0.20283(18) 1.0798(2) 0.33350(18) 0.0333(6) Uani 1 1 d . . .
H18A H 0.1694 1.1223 0.3271 0.04 Uiso 1 1 calc R . .
C19A C 0.22174(17) 1.0049(2) 0.25428(17) 0.0320(6) Uani 1 1 d . . .
C20A C 0.26966(17) 0.94082(19) 0.25975(18) 0.0308(5) Uani 1 1 d . . .
H20A H 0.2813 0.8899 0.2033 0.037 Uiso 1 1 calc R . .
C21A C 0.30019(16) 0.95258(18) 0.34935(17) 0.0263(5) Uani 1 1 d . . .
H21A H 0.3334 0.9096 0.3551 0.032 Uiso 1 1 calc R . .
C22A C 0.5211(2) 1.2714(2) 0.8938(2) 0.0537(8) Uani 1 1 d . . .
H22A H 0.5521 1.2795 0.8399 0.064 Uiso 1 1 calc R . .
C23A C 0.5233(3) 1.3725(2) 0.9697(3) 0.0710(10) Uani 1 1 d . . .
H23A H 0.4855 1.4015 0.943 0.107 Uiso 1 1 calc R . .
H23B H 0.5927 1.419 0.994 0.107 Uiso 1 1 calc R . .
H23C H 0.493 1.364 1.0224 0.107 Uiso 1 1 calc R . .
C24A C 0.5760(3) 1.2227(3) 0.9340(4) 0.1017(17) Uani 1 1 d . . .
H24A H 0.548 1.219 0.9894 0.152 Uiso 1 1 calc R . .
H24B H 0.6472 1.2644 0.9541 0.152 Uiso 1 1 calc R . .
H24C H 0.5684 1.1532 0.8843 0.152 Uiso 1 1 calc R . .
C25A C 0.24844(19) 1.0936(2) 0.91655(17) 0.0352(6) Uani 1 1 d . . .
H25A H 0.2806 1.1656 0.9271 0.042 Uiso 1 1 calc R . .
C26A C 0.1446(2) 1.0787(2) 0.9412(2) 0.0477(7) Uani 1 1 d . . .
H26A H 0.104 1.092 0.9003 0.072 Uiso 1 1 calc R . .
H26B H 0.1486 1.1265 1.0088 0.072 Uiso 1 1 calc R . .
H26C H 0.1137 1.008 0.9307 0.072 Uiso 1 1 calc R . .
C27A C 0.3139(2) 1.0687(3) 0.9721(2) 0.0586(9) Uani 1 1 d . . .
H27A H 0.2845 0.9963 0.9573 0.088 Uiso 1 1 calc R . .
H27B H 0.3194 1.1124 1.041 0.088 Uiso 1 1 calc R . .
H27C H 0.3806 1.0809 0.9542 0.088 Uiso 1 1 calc R . .
C28A C 0.5377(3) 0.6714(2) 0.6866(2) 0.0653(10) Uani 1 1 d . . .
H28A H 0.4723 0.6195 0.6807 0.078 Uiso 1 1 calc R . .
C29A C 0.6072(4) 0.6965(3) 0.7766(3) 0.119(2) Uani 1 1 d . . .
H29A H 0.6201 0.6344 0.7686 0.179 Uiso 1 1 calc R . .
H29B H 0.5751 0.7212 0.8331 0.179 Uiso 1 1 calc R . .
H29C H 0.6706 0.7498 0.7854 0.179 Uiso 1 1 calc R . .
C30A C 0.5834(3) 0.6242(3) 0.5984(3) 0.0750(12) Uani 1 1 d . . .
H30A H 0.5366 0.6022 0.5405 0.112 Uiso 1 1 calc R . .
H30B H 0.5974 0.5646 0.5964 0.112 Uiso 1 1 calc R . .
H30C H 0.646 0.6752 0.6012 0.112 Uiso 1 1 calc R . .
C31A C 0.3482(2) 0.65372(19) 0.5866(2) 0.0393(6) Uani 1 1 d . . .
H31A H 0.3703 0.5944 0.5536 0.059 Uiso 1 1 calc R . .
H31B H 0.2962 0.6511 0.5428 0.059 Uiso 1 1 calc R . .
H31C H 0.3212 0.6522 0.6431 0.059 Uiso 1 1 calc R . .
O1B O 0.16481(17) 0.68899(18) 0.98559(15) 0.0598(6) Uani 1 1 d . . .
O2B O 0.05326(16) 0.75845(17) 1.04268(14) 0.0558(6) Uani 1 1 d . . .
O3B O -0.04332(14) 0.78320(14) 0.62294(12) 0.0397(4) Uani 1 1 d . . .
O4B O 0.04550(11) 0.67778(12) 0.55596(11) 0.0266(4) Uani 1 1 d . . .
O5B O -0.15402(13) 0.55851(14) 0.44525(13) 0.0409(4) Uani 1 1 d . . .
O6B O -0.21699(11) 0.68851(12) 0.37148(12) 0.0309(4) Uani 1 1 d . . .
O7B O -0.01980(11) 0.84349(12) 0.38148(12) 0.0284(4) Uani 1 1 d . . .
N1B N 0.10162(17) 0.72622(17) 0.97950(16) 0.0409(5) Uani 1 1 d . . .
C1B C 0.01674(16) 0.66647(17) 0.46149(16) 0.0247(5) Uani 1 1 d . . .
C2B C -0.09825(17) 0.63013(18) 0.43562(17) 0.0284(5) Uani 1 1 d . . .
C3B C -0.12267(16) 0.69325(17) 0.39871(16) 0.0254(5) Uani 1 1 d . . .
C4B C -0.03795(17) 0.76724(16) 0.40531(16) 0.0242(5) Uani 1 1 d . . .
C5B C 0.05537(16) 0.76469(17) 0.44901(16) 0.0241(5) Uani 1 1 d . . .
H5B H 0.0849 0.8269 0.5126 0.029 Uiso 1 1 calc R . .
C6B C 0.13490(16) 0.75026(17) 0.38254(17) 0.0259(5) Uani 1 1 d . . .
H6B1 H 0.1349 0.7855 0.3428 0.031 Uiso 1 1 calc R . .
H6B2 H 0.2026 0.7773 0.4205 0.031 Uiso 1 1 calc R . .
C7B C 0.10202(16) 0.63285(16) 0.31939(16) 0.0237(5) Uani 1 1 d . . .
C8B C 0.02522(17) 0.59824(18) 0.23000(16) 0.0269(5) Uani 1 1 d . . .
H8B1 H -0.0306 0.5352 0.2178 0.032 Uiso 1 1 calc R . .
H8B2 H -0.0024 0.6529 0.2381 0.032 Uiso 1 1 calc R . .
C9B C 0.08571(17) 0.57779(19) 0.14885(17) 0.0305(5) Uani 1 1 d . . .
H9B1 H 0.13 0.6428 0.1521 0.037 Uiso 1 1 calc R . .
H9B2 H 0.0415 0.536 0.0854 0.037 Uiso 1 1 calc R . .
C10B C 0.14625(17) 0.51888(18) 0.16697(16) 0.0272(5) Uani 1 1 d . . .
H10B H 0.0975 0.4502 0.1529 0.033 Uiso 1 1 calc R . .
C11B C 0.18193(17) 0.57859(17) 0.27825(16) 0.0258(5) Uani 1 1 d . . .
C12B C 0.17390(19) 0.50567(19) 0.32530(18) 0.0325(6) Uani 1 1 d . . .
H12C H 0.1446 0.4328 0.2763 0.039 Uiso 1 1 calc R . .
H12D H 0.2407 0.5171 0.3564 0.039 Uiso 1 1 calc R . .
C13B C 0.10682(18) 0.53302(17) 0.39872(17) 0.0290(5) Uani 1 1 d . . .
H13B H 0.095 0.507 0.4438 0.035 Uiso 1 1 calc R . .
C14B C 0.06644(16) 0.59771(16) 0.39273(16) 0.0236(5) Uani 1 1 d . . .
C15B C 0.00801(17) 0.73566(18) 0.62950(17) 0.0286(5) Uani 1 1 d . . .
C16B C 0.03737(16) 0.73415(17) 0.72068(16) 0.0263(5) Uani 1 1 d . . .
C17B C 0.00118(19) 0.78868(19) 0.80112(18) 0.0342(6) Uani 1 1 d . . .
H17B H -0.0388 0.8272 0.7975 0.041 Uiso 1 1 calc R . .
C18B C 0.02293(19) 0.7875(2) 0.88712(18) 0.0359(6) Uani 1 1 d . . .
H18B H -0.002 0.8243 0.9426 0.043 Uiso 1 1 calc R . .
C19B C 0.08172(18) 0.73150(18) 0.88944(17) 0.0308(5) Uani 1 1 d . . .
C20B C 0.12056(17) 0.67848(18) 0.81130(17) 0.0297(5) Uani 1 1 d . . .
H20B H 0.1625 0.6423 0.8161 0.036 Uiso 1 1 calc R . .
C21B C 0.09727(16) 0.67886(17) 0.72533(17) 0.0271(5) Uani 1 1 d . . .
H21B H 0.1221 0.6416 0.67 0.032 Uiso 1 1 calc R . .
C22B C -0.29824(17) 0.58961(19) 0.32862(18) 0.0338(6) Uani 1 1 d . . .
H22B H -0.3084 0.5617 0.3759 0.041 Uiso 1 1 calc R . .
C23B C -0.2761(2) 0.5140(2) 0.2387(2) 0.0543(8) Uani 1 1 d . . .
H23D H -0.2674 0.5408 0.192 0.081 Uiso 1 1 calc R . .
H23E H -0.3319 0.4486 0.2116 0.081 Uiso 1 1 calc R . .
H23F H -0.2147 0.503 0.2537 0.081 Uiso 1 1 calc R . .
C24B C -0.3887(2) 0.6149(3) 0.3106(3) 0.0619(9) Uani 1 1 d . . .
H24D H -0.4002 0.6641 0.3715 0.093 Uiso 1 1 calc R . .
H24E H -0.4473 0.552 0.282 0.093 Uiso 1 1 calc R . .
H24F H -0.3775 0.645 0.2665 0.093 Uiso 1 1 calc R . .
C25B C -0.09957(18) 0.85583(17) 0.33121(17) 0.0285(5) Uani 1 1 d . . .
H25B H -0.1618 0.8441 0.3596 0.034 Uiso 1 1 calc R . .
C26B C -0.0593(2) 0.9655(2) 0.3499(2) 0.0437(7) Uani 1 1 d . . .
H26D H -0.0477 1.011 0.4192 0.066 Uiso 1 1 calc R . .
H26E H -0.1078 0.9797 0.3172 0.066 Uiso 1 1 calc R . .
H26F H 0.0039 0.9775 0.3255 0.066 Uiso 1 1 calc R . .
C27B C -0.1202(2) 0.7809(2) 0.22689(19) 0.0447(7) Uani 1 1 d . . .
H27D H -0.0591 0.7933 0.1994 0.067 Uiso 1 1 calc R . .
H27E H -0.173 0.7895 0.1936 0.067 Uiso 1 1 calc R . .
H27F H -0.1419 0.7108 0.2192 0.067 Uiso 1 1 calc R . .
C28B C 0.22601(18) 0.4980(2) 0.10357(17) 0.0334(6) Uani 1 1 d . . .
H28B H 0.2809 0.5649 0.1231 0.04 Uiso 1 1 calc R . .
C29B C 0.2711(2) 0.4257(2) 0.1168(2) 0.0504(7) Uani 1 1 d . . .
H29D H 0.2193 0.3584 0.095 0.076 Uiso 1 1 calc R . .
H29E H 0.2981 0.4539 0.1849 0.076 Uiso 1 1 calc R . .
H29F H 0.325 0.4182 0.079 0.076 Uiso 1 1 calc R . .
C30B C 0.1831(2) 0.4542(2) -0.00230(19) 0.0468(7) Uani 1 1 d . . .
H30D H 0.234 0.4367 -0.0415 0.07 Uiso 1 1 calc R . .
H30E H 0.1633 0.5055 -0.012 0.07 Uiso 1 1 calc R . .
H30F H 0.1246 0.3923 -0.0213 0.07 Uiso 1 1 calc R . .
C31B C 0.28745(17) 0.65683(19) 0.30736(18) 0.0342(6) Uani 1 1 d . . .
H31D H 0.3354 0.6209 0.2833 0.051 Uiso 1 1 calc R . .
H31E H 0.3039 0.6961 0.3776 0.051 Uiso 1 1 calc R . .
H31F H 0.2908 0.7037 0.2799 0.051 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
O1A N1A 1.214(3) . ?
O2A N1A 1.225(3) . ?
O3A C15A 1.210(3) . ?
O4A C15A 1.345(3) . ?
O4A C1A 1.455(3) . ?
O5A C2A 1.221(3) . ?
O6A C3A 1.372(3) . ?
O6A C22A 1.433(3) . ?
O7A C4A 1.338(3) . ?
O7A C25A 1.462(3) . ?
N1A C19A 1.474(3) . ?
C1A C14A 1.497(3) . ?
C1A C2A 1.538(3) . ?
C1A C5A 1.549(3) . ?
C2A C3A 1.449(3) . ?
C3A C4A 1.356(3) . ?
C4A C5A 1.494(3) . ?
C5A C6A 1.552(3) . ?
C5A H5A 1 . ?
C6A C7A 1.551(3) . ?
C6A H6A1 0.99 . ?
C6A H6A2 0.99 . ?
C7A C14A 1.509(3) . ?
C7A C8A 1.552(3) . ?
C7A C11A 1.592(3) . ?
C8A C9A 1.519(3) . ?
C8A H8A1 0.99 . ?
C8A H8A2 0.99 . ?
C9A C10A 1.522(4) . ?
C9A H9A1 0.99 . ?
C9A H9A2 0.99 . ?
C10A C28A 1.536(4) . ?
C10A C11A 1.557(3) . ?
C10A H10A 1 . ?
C11A C31A 1.528(3) . ?
C11A C12A 1.555(3) . ?
C12A C13A 1.497(3) . ?
C12A H12A 0.99 . ?
C12A H12B 0.99 . ?
C13A C14A 1.320(3) . ?
C13A H13A 0.95 . ?
C15A C16A 1.485(3) . ?
C16A C21A 1.391(3) . ?
C16A C17A 1.394(3) . ?
C17A C18A 1.389(3) . ?
C17A H17A 0.95 . ?
C18A C19A 1.374(4) . ?
C18A H18A 0.95 . ?
C19A C20A 1.383(3) . ?
C20A C21A 1.382(3) . ?
C20A H20A 0.95 . ?
C21A H21A 0.95 . ?
C22A C23A 1.479(4) . ?
C22A C24A 1.520(5) . ?
C22A H22A 1 . ?
C23A H23A 0.98 . ?
C23A H23B 0.98 . ?
C23A H23C 0.98 . ?
C24A H24A 0.98 . ?
C24A H24B 0.98 . ?
C24A H24C 0.98 . ?
C25A C27A 1.499(4) . ?
C25A C26A 1.508(4) . ?
C25A H25A 1 . ?
C26A H26A 0.98 . ?
C26A H26B 0.98 . ?
C26A H26C 0.98 . ?
C27A H27A 0.98 . ?
C27A H27B 0.98 . ?
C27A H27C 0.98 . ?
C28A C30A 1.517(5) . ?
C28A C29A 1.540(4) . ?
C28A H28A 1 . ?
C29A H29A 0.98 . ?
C29A H29B 0.98 . ?
C29A H29C 0.98 . ?
C30A H30A 0.98 . ?
C30A H30B 0.98 . ?
C30A H30C 0.98 . ?
C31A H31A 0.98 . ?
C31A H31B 0.98 . ?
C31A H31C 0.98 . ?
O1B N1B 1.221(3) . ?
O2B N1B 1.223(3) . ?
O3B C15B 1.206(3) . ?
O4B C15B 1.346(3) . ?
O4B C1B 1.453(3) . ?
O5B C2B 1.223(3) . ?
O6B C3B 1.370(3) . ?
O6B C22B 1.461(3) . ?
O7B C4B 1.337(3) . ?
O7B C25B 1.473(3) . ?
N1B C19B 1.479(3) . ?
C1B C14B 1.501(3) . ?
C1B C2B 1.543(3) . ?
C1B C5B 1.546(3) . ?
C2B C3B 1.443(3) . ?
C3B C4B 1.354(3) . ?
C4B C5B 1.500(3) . ?
C5B C6B 1.549(3) . ?
C5B H5B 1 . ?
C6B C7B 1.543(3) . ?
C6B H6B1 0.99 . ?
C6B H6B2 0.99 . ?
C7B C14B 1.508(3) . ?
C7B C8B 1.547(3) . ?
C7B C11B 1.586(3) . ?
C8B C9B 1.519(3) . ?
C8B H8B1 0.99 . ?
C8B H8B2 0.99 . ?
C9B C10B 1.523(3) . ?
C9B H9B1 0.99 . ?
C9B H9B2 0.99 . ?
C10B C28B 1.534(3) . ?
C10B C11B 1.564(3) . ?
C10B H10B 1 . ?
C11B C31B 1.526(3) . ?
C11B C12B 1.571(3) . ?
C12B C13B 1.505(3) . ?
C12B H12C 0.99 . ?
C12B H12D 0.99 . ?
C13B C14B 1.321(3) . ?
C13B H13B 0.95 . ?
C15B C16B 1.496(3) . ?
C16B C17B 1.384(3) . ?
C16B C21B 1.390(3) . ?
C17B C18B 1.389(3) . ?
C17B H17B 0.95 . ?
C18B C19B 1.376(3) . ?
C18B H18B 0.95 . ?
C19B C20B 1.375(3) . ?
C20B C21B 1.387(3) . ?
C20B H20B 0.95 . ?
C21B H21B 0.95 . ?
C22B C23B 1.497(4) . ?
C22B C24B 1.503(4) . ?
C22B H22B 1 . ?
C23B H23D 0.98 . ?
C23B H23E 0.98 . ?
C23B H23F 0.98 . ?
C24B H24D 0.98 . ?
C24B H24E 0.98 . ?
C24B H24F 0.98 . ?
C25B C27B 1.493(4) . ?
C25B C26B 1.499(3) . ?
C25B H25B 1 . ?
C26B H26D 0.98 . ?
C26B H26E 0.98 . ?
C26B H26F 0.98 . ?
C27B H27D 0.98 . ?
C27B H27E 0.98 . ?
C27B H27F 0.98 . ?
C28B C29B 1.519(4) . ?
C28B C30B 1.527(4) . ?
C28B H28B 1 . ?
C29B H29D 0.98 . ?
C29B H29E 0.98 . ?
C29B H29F 0.98 . ?
C30B H30D 0.98 . ?
C30B H30E 0.98 . ?
C30B H30F 0.98 . ?
C31B H31D 0.98 . ?
C31B H31E 0.98 . ?
C31B H31F 0.98 . ?
