#------------------------------------------------------------------------------ #$Date: 2016-02-19 14:29:56 +0000 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: svn://www.crystallography.net/cod/cif/2/00/62/2006268.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2006268 loop_ _publ_author_name 'Suh, Il-Hwan' 'Choi, Sungjo' 'Lewis, David E.' 'Jensen, William P. ' _publ_section_title ; Two Related Benzylcamphor Dimers ; _journal_issue 7 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 963 _journal_page_last 967 _journal_paper_doi 10.1107/S0108270197000371 _journal_volume 53 _journal_year 1997 _chemical_formula_moiety 'C34 H42 O2' _chemical_formula_sum 'C34 H42 O2' _chemical_formula_weight 482.70 _chemical_name_systematic ; ? ; _space_group_IT_number 4 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _cell_angle_alpha 90.0 _cell_angle_beta 101.012(17) _cell_angle_gamma 90.0 _cell_formula_units_Z 2 _cell_length_a 13.453(3) _cell_length_b 10.1847(16) _cell_length_c 10.2639(18) _cell_measurement_reflns_used 25 _cell_measurement_temperature 293 _cell_measurement_theta_max 29.50 _cell_measurement_theta_min 25.00 _cell_volume 1380.4(5) _computing_data_reduction 'NRCVAX DATRD2 (Gabe, Le Page, Charland, Lee & White, 1989)' _computing_molecular_graphics NRCVAX _computing_publication_material 'NRCVAX TABLES Jan 94 Version' _computing_structure_refinement 'NRCVAX LSTSQ' _computing_structure_solution 'NRCVAX SOLVER' _diffrn_ambient_temperature 293 _diffrn_measurement_device 'Nonius CAD-4 ' _diffrn_measurement_method \w _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'xray tube' _diffrn_radiation_type 'Copper K\a' _diffrn_radiation_wavelength 1.54056 _diffrn_reflns_av_R_equivalents 0.000 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_l_max 11 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_number 2040 _diffrn_reflns_theta_max 59.88 _diffrn_reflns_theta_min 0.00 _diffrn_standards_decay_% 2.2 _diffrn_standards_interval_time 180 _diffrn_standards_number 3 _exptl_absorpt_coefficient_mu 0.50 _exptl_absorpt_correction_T_max 1.0000 _exptl_absorpt_correction_T_min 1.0000 _exptl_absorpt_correction_type none _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 1.161 _exptl_crystal_description prism _exptl_crystal_F_000 525.34 _exptl_crystal_size_max 0.26 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.20 _refine_diff_density_max 0.24 _refine_diff_density_min -0.30 _refine_ls_extinction_coef '1.32(7) x 10^-6^' _refine_ls_extinction_method 'Larson (1970)' _refine_ls_goodness_of_fit_obs 7.32 _refine_ls_hydrogen_treatment 'H-atom parameters not refined' _refine_ls_matrix_type atomblock _refine_ls_number_parameters 325 _refine_ls_number_reflns 1808 _refine_ls_R_factor_all 0.080 _refine_ls_R_factor_obs .080 _refine_ls_shift/esd_max 0.125 _refine_ls_structure_factor_coef F _refine_ls_weighting_details 'w = 1/\s^2^(F)' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_all 0.067 _refine_ls_wR_factor_obs .067 _reflns_number_observed 1808 _reflns_number_total 2040 _reflns_observed_criterion 'Inet > 3.0\s(Inet)' _cod_data_source_file bk1252.cif _cod_data_source_block 2 _cod_depositor_comments ; The following automatic conversions were performed: '_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic' 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 The following automatic conversions were performed: '_atom_site_thermal_displace_type' tag value 'Uij' was replaced with 'Uani' value 36 times. Automatic conversion script Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana The following automatic conversions were performed: '_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic' 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_values 1715 2011-07-08 13:25:40Z adriana The following automatic conversions were performed: '_refine_ls_weighting_scheme' value '1/\s^2^(F)' was changed to 'calc'. New tag '_refine_ls_weighting_details' was created. The value of the new tag was set to 'w = 1/\s^2^(F)'. Automatic conversion script Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas ; _cod_original_cell_volume 1380.4(4) _cod_original_sg_symbol_H-M 'P 21' _cod_database_code 2006268 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,1/2+y,-z 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 _atom_site_aniso_type_symbol O1 .050(5) .081(6) .043(4) -.022(5) .001(3) -.006(5) O O2 .088(6) .082(7) .033(4) -.034(6) .010(4) -.013(5) O C1 .066(7) .041(6) .029(5) -.007(6) -.001(5) .002(6) C C2 .041(6) .042(7) .030(5) -.004(5) .001(4) -.002(5) C C3 .050(7) .050(7) .025(5) -.002(6) -.006(5) .003(5) C C4 .043(7) .054(8) .022(5) -.020(6) -.002(5) -.003(5) C C5 .061(7) .034(6) .031(5) -.004(6) .003(5) -.007(5) C C6 .064(8) .052(8) .038(6) .016(7) -.013(5) .003(6) C C7 .086(9) .033(6) .031(6) .002(6) -.007(5) .002(5) C C8 .064(7) .051(7) .016(4) -.022(7) -.003(4) -.003(5) C C9 .053(6) .041(6) .028(5) .000(6) -.007(4) -.007(5) C C10 .058(7) .057(8) .035(6) .005(6) -.017(5) -.008(6) C C11 .072(8) .065(8) .038(6) -.025(7) -.023(5) -.003(6) C C12 .078(8) .082(9) .022(5) .003(8) .015(5) -.007(7) C C13 .054(6) .043(7) .029(5) -.007(6) -.008(5) -.005(5) C C14 .027(5) .050(7) .034(6) -.005(6) -.007(4) .003(5) C C15 .036(6) .047(7) .047(6) -.009(5) .005(5) -.011(6) C C16 .044(6) .097(11) .034(6) .001(7) -.012(5) -.012(7) C C17 .058(8) .118(13) .081(9) -.014(9) -.021(7) -.041(9) C C18 .071(8) .061(9) .054(7) -.019(7) .020(6) .002(7) C C19 .106(10) .036(7) .053(7) -.013(7) .009(7) -.018(6) C C20 .22(2) .052(10) .074(10) .036(12) -.026(11) -.006(8) C C21 .150(14) .064(10) .071(9) -.031(10) -.005(9) -.021(8) C C22 .098(10) .083(11) .038(6) -.014(8) .009(6) -.025(7) C C23 .049(7) .050(7) .026(5) .013(6) -.011(5) -.001(5) C C24 .061(8) .053(8) .044(6) -.001(7) -.013(6) .003(6) C C25 .113(11) .058(9) .025(6) .034(9) -.019(6) .005(6) C C26 .092(10) .097(12) .037(7) .047(10) -.020(7) -.012(8) C C27 .063(8) .128(14) .049(7) .044(9) -.013(6) -.023(9) C C28 .069(8) .082(10) .039(6) .026(8) -.002(6) -.009(7) C C29 .055(7) .051(7) .023(5) -.006(6) -.011(5) .000(5) C C30 .051(6) .058(8) .029(5) .005(6) -.015(5) .002(6) C C31 .133(11) .039(7) .036(6) .024(10) -.007(7) .001(6) C C32 .093(10) .077(10) .037(7) .041(10) -.020(7) -.012(8) C C33 .073(9) .110(12) .038(7) .018(10) .003(6) -.030(8) C C34 .044(6) .083(9) .030(6) .006(7) .004(5) -.008(6) C loop_ _atom_site_label _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_calc_flag _atom_site_refinement_flags _atom_site_type_symbol O1 .1687(5) .75770 .2636(6) .059(5) Uani ? . O O2 .3309(6) .6787(9) -.2628(6) .068(5) Uani ? . O C1 .1915(8) .6782(14) -.0440(8) .046(6) Uani ? . C C2 .2938(7) .7434(13) .0314(8) .038(6) Uani ? . C C3 .2749(7) .8583(13) .1195(9) .043(6) Uani ? . C C4 .2274(8) .8419(14) .2441(9) .041(6) Uani ? . C C5 .2683(7) .9554(13) .3336(8) .043(6) Uani ? . C C6 .2263(8) 1.0809(15) .2544(10) .055(7) Uani ? . C C7 .2984(8) 1.0914(13) .1507(9) .053(7) Uani ? . C C8 .3543(7) .9644(15) .1657(8) .045(6) Uani ? . C C9 .3796(7) .9495(14) .3233(8) .043(6) Uani ? . C C10 .4345(8) .8227(14) .3745(9) .053(7) Uani ? . C C11 .4440(8) 1.0636(15) .3906(9) .063(7) Uani ? . C C12 .2428(8) .9473(16) .4748(8) .060(8) Uani ? . C C13 .2141(7) .5721(14) -.1423(9) .044(6) Uani ? . C C14 .2615(7) .6048(14) -.2592(9) .039(6) Uani ? . C C15 .2097(7) .5186(13) -.3736(9) .044(6) Uani ? . C C16 .1071(8) .5916(15) -.4130(9) .061(8) Uani ? . C C17 .0474(8) .5549(18) -.3055(12) .090(9) Uani ? . C C18 .1284(9) .4770(16) -.2044(11) .061(8) Uani ? . C C19 .1825(10) .4011(14) -.3029(11) .066(8) Uani ? . C C20 .2719(14) .3223(17) -.2348(14) .124(14) Uani ? . C C21 .1022(11) .3066(16) -.3936(12) .098(11) Uani ? . C C22 .2658(9) .5031(15) -.4870(9) .074(8) Uani ? . C C23 .1188(7) .7847(14) -.1037(9) .044(6) Uani ? . C C24 .1411(8) .8741(14) -.1985(10) .056(7) Uani ? . C C25 .0754(10) .9715(16) -.2506(9) .070(8) Uani ? . C C26 -.0192(10) .9760(18) -.2140(10) .080(10) Uani ? . C C27 -.0425(9) .8883(19) -.1214(11) .083(10) Uani ? . C C28 .0240(9) .7928(15) -.0652(9) .065(8) Uani ? . C C29 .3672(8) .6376(14) .0968(9) .045(6) Uani ? . C C30 .3382(8) .5414(15) .1806(9) .049(6) Uani ? . C C31 .4098(11) .4487(16) .2378(10) .073(9) Uani ? . C C32 .5031(10) .4442(18) .2137(10) .073(9) Uani ? . C C33 .5359(9) .5412(19) .1335(10) .075(9) Uani ? . C C34 .4635(8) .6355(15) .0741(9) .053(7) Uani ? . C H1 .161 .632 .033 .06(2) Uiso ? . H H2 .329 .787 -.046 .05(5) Uiso ? . H H3 .217 .915 .054 .05(5) Uiso ? . H H6A .233 1.168 .316 .06(4) Uiso ? . H H6B .149 1.072 .203 .06(2) Uiso ? . H H7A .348 1.176 .176 .06(3) Uiso ? . H H7B .255 1.110 .052 .06(5) Uiso ? . H H8 .420 .963 .121 .06(2) Uiso ? . H H10A .505 .813 .338 .06(3) Uiso ? . H H10B .447 .831 .481 .06(4) Uiso ? . H H10C .390 .738 .338 .06(6) Uiso ? . H H11A .502 1.094 .337 .07(5) Uiso ? . H H11B .471 1.050 .497 .07(12) Uiso ? . H H11C .389 1.144 .365 .07(5) Uiso ? . H H12A .266 .850 .504 .07(4) Uiso ? . H H12B .164 .957 .481 .07(3) Uiso ? . H H12C .279 1.019 .550 .07(5) Uiso ? . H H13 .266 .507 -.081 .05(3) Uiso ? . H H16A .123 .695 -.421 .07(3) Uiso ? . H H16B .069 .567 -.515 .1(2) Uiso ? . H H17A .023 .651 -.263 .1(6) Uiso ? . H H17B -.019 .506 -.350 .10(5) Uiso ? . H H18 .091 .417 -.141 .07(7) Uiso ? . H H20A .334 .382 -.187 .12(3) Uiso ? . H H20B .301 .267 -.313 .1(2) Uiso ? . H H20C .249 .251 -.169 .12(7) Uiso ? . H H21A .136 .232 -.448 .10(18) Uiso ? . H H21B .047 .361 -.466 .10(11) Uiso ? . H H21C .058 .258 -.332 .10(6) Uiso ? . H H22A .273 .607 -.508 .08(5) Uiso ? . H H22B .230 .445 -.571 .08(4) Uiso ? . H H22C .341 .463 -.455 .08(5) Uiso ? . H H24 .212 .866 -.230 .06(3) Uiso ? . H H25 .091 1.044 -.322 .08(4) Uiso ? . H H26 -.073 1.052 -.254 .09(3) Uiso ? . H H27 -.116 .889 -.097 .09(4) Uiso ? . H H28 .005 .722 .003 .07(4) Uiso ? . H H30 .262 .544 .203 .06(3) Uiso ? . H H31 .388 .380 .307 .08(3) Uiso ? . H H32 .553 .367 .256 .08(3) Uiso ? . H H33 .612 .537 .113 .08(3) Uiso ? . H H34 .487 .713 .014 .06(4) Uiso ? . H loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source O 0.047 0.032 'International Tables Vol. IV Table 2.2B' C 0.017 0.009 'International Tables Vol. IV Table 2.2B' H 0.000 0.000 'International Tables Vol. IV Table 2.2B' loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l 1 4 4 2 2 3 3 -5 3 loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_publ_flag C2 C1 C13 110.5(8) y C2 C1 C23 109.3(10) y C13 C1 C23 115.5(8) n C1 C2 C3 112.4(8) y C1 C2 C29 110.2(10) n C3 C2 C29 116.5(7) n C2 C3 C4 123.3(11) y C2 C3 C8 122.5(9) y C4 C3 C8 101.2(8) y O1 C4 C3 127.0(10) y O1 C4 C5 127.9(9) y C3 C4 C5 105.1(9) y C4 C5 C6 104.8(8) y C4 C5 C9 100.1(9) y C4 C5 C12 113.9(10) n C6 C5 C9 105.1(9) y C6 C5 C12 114.0(10) n C9 C5 C12 117.2(7) n C5 C6 C7 101.5(9) y C6 C7 C8 103.6(9) y C3 C8 C7 105.8(8) y C3 C8 C9 104.3(9) y C7 C8 C9 101.1(9) y C5 C9 C8 92.6(7) y C5 C9 C10 115.3(10) n C5 C9 C11 114.7(10) n C8 C9 C10 115.1(10) n C8 C9 C11 112.2(10) n C10 C9 C11 106.9(8) n C1 C13 C14 122.2(11) y C1 C13 C18 118.9(9) y C14 C13 C18 101.9(8) y O2 C14 C13 127.8(10) y O2 C14 C15 125.4(9) y C13 C14 C15 106.7(9) y C14 C15 C16 100.2(9) y C14 C15 C19 102.0(8) y C14 C15 C22 115.5(9) n C16 C15 C19 103.0(9) y C16 C15 C22 113.5(9) n C19 C15 C22 119.9(11) n C15 C16 C17 104.9(10) y C16 C17 C18 101.9(9) y C13 C18 C17 109.0(12) y C13 C18 C19 100.1(9) y C17 C18 C19 99.9(9) y C15 C19 C18 96.1(10) y C15 C19 C20 114.1(12) n C15 C19 C21 113.7(9) n C18 C19 C20 113.2(10) n C18 C19 C21 109.1(10) n C20 C19 C21 109.9(12) n C1 C23 C24 122.6(10) n C1 C23 C28 118.7(11) n C24 C23 C28 118.7(11) n C23 C24 C25 122.2(11) n C24 C25 C26 118.2(13) n C25 C26 C27 120.2(12) n C26 C27 C28 122.1(11) n C23 C28 C27 118.5(12) n C2 C29 C30 121.9(9) n C2 C29 C34 119.5(11) n C30 C29 C34 118.6(11) n C29 C30 C31 118.6(11) n C30 C31 C32 123.2(14) n C31 C32 C33 119.8(13) n C32 C33 C34 117.3(11) n loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag O1 C4 . . 1.208(12) y O2 C14 . . 1.206(14) y C1 C2 . . 1.590(14) y C1 C13 . . 1.547(17) y C1 C23 . . 1.510(17) n C2 C3 . . 1.530(17) y C2 C29 . . 1.528(17) n C3 C4 . . 1.543(14) y C3 C8 . . 1.531(17) y C4 C5 . . 1.514(16) y C5 C6 . . 1.561(18) y C5 C9 . . 1.522(13) y C5 C12 . . 1.554(12) n C6 C7 . . 1.575(16) y C7 C8 . . 1.489(19) y C8 C9 . . 1.596(12) y C9 C10 . . 1.531(18) n C9 C11 . . 1.533(17) n C13 C14 . . 1.500(14) y C13 C18 . . 1.547(17) y C14 C15 . . 1.524(15) y C15 C16 . . 1.552(16) y C15 C19 . . 1.480(18) y C15 C22 . . 1.512(14) n C16 C17 . . 1.530(18) y C17 C18 . . 1.570(19) y C18 C19 . . 1.559(18) y C19 C20 . . 1.50(2) n C19 C21 . . 1.605(18) n C23 C24 . . 1.407(18) n C23 C28 . . 1.408(16) n C24 C25 . . 1.368(19) n C25 C26 . . 1.39(2) n C26 C27 . . 1.38(2) n C27 C28 . . 1.37(2) n C29 C30 . . 1.407(18) n C29 C34 . . 1.359(15) n C30 C31 . . 1.395(18) n C31 C32 . . 1.33(2) n C32 C33 . . 1.41(3) n C33 C34 . . 1.42(2) no loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion C13 C1 C2 C3 174.(2) C13 C1 C2 C29 -53.9(13) C23 C1 C2 C3 46.2(12) C23 C1 C2 C29 178.(2) C2 C1 C13 C14 -63.8(14) C2 C1 C13 C18 168.(2) C23 C1 C13 C14 60.9(14) C23 C1 C13 C18 -67.8(15) C2 C1 C23 C24 60.5(14) C2 C1 C23 C28 -121.(2) C13 C1 C23 C24 -64.7(15) C13 C1 C23 C28 114.(2) C1 C2 C3 C4 66.6(14) C1 C2 C3 C8 -159.(2) C29 C2 C3 C4 -62.0(14) C29 C2 C3 C8 72.1(15) C1 C2 C29 C30 -51.9(13) C1 C2 C29 C34 128.(2) C3 C2 C29 C30 77.7(16) C3 C2 C29 C34 -102.3(19) C2 C3 C4 O1 -28.5(10) C2 C3 C4 C5 153.(2) C8 C3 C4 O1 -170.(2) C8 C3 C4 C5 11.0(10) C2 C3 C8 C7 137.(2) C2 C3 C8 C9 -116.6(19) C4 C3 C8 C7 -80.6(16) C4 C3 C8 C9 25.6(10) O1 C4 C5 C6 -115.(2) O1 C4 C5 C9 136.(2) O1 C4 C5 C12 9.9(9) C3 C4 C5 C6 63.2(14) C3 C4 C5 C9 -45.4(12) C3 C4 C5 C12 -172.(2) C4 C5 C6 C7 -77.2(16) C9 C5 C6 C7 27.9(11) C12 C5 C6 C7 158.(2) C4 C5 C9 C8 57.2(13) C4 C5 C9 C10 -62.2(14) C4 C5 C9 C11 173.(2) C6 C5 C9 C8 -51.3(13) C6 C5 C9 C10 -171.(2) C6 C5 C9 C11 64.5(15) C12 C5 C9 C8 -179.(2) C12 C5 C9 C10 61.6(14) C12 C5 C9 C11 -63.2(14) C5 C6 C7 C8 10.4(10) C6 C7 C8 C3 65.6(15) C6 C7 C8 C9 -43.0(12) C3 C8 C9 C5 -51.7(13) C3 C8 C9 C10 67.8(15) C3 C8 C9 C11 -170.(2) C7 C8 C9 C5 58.0(14) C7 C8 C9 C10 178.(2) C7 C8 C9 C11 -60.1(14) C1 C13 C14 O2 42.5(12) C1 C13 C14 C15 -141.(2) C18 C13 C14 O2 178.(2) C18 C13 C14 C15 -5.8(10) C1 C13 C18 C17 70.5(16) C1 C13 C18 C19 175.(2) C14 C13 C18 C17 -67.1(16) C14 C13 C18 C19 37.2(12) O2 C14 C15 C16 -108.(2) O2 C14 C15 C19 146.(2) O2 C14 C15 C22 14.6(11) C13 C14 C15 C16 76.0(16) C13 C14 C15 C19 -29.8(12) C13 C14 C15 C22 -162.(2) C14 C15 C16 C17 -75.7(17) C19 C15 C16 C17 29.2(13) C22 C15 C16 C17 161.(2) C14 C15 C19 C18 51.4(14) C14 C15 C19 C20 -67.4(17) C14 C15 C19 C21 166.(2) C16 C15 C19 C18 -52.2(14) C16 C15 C19 C20 -171.(2) C16 C15 C19 C21 61.9(15) C22 C15 C19 C18 -180.(2) C22 C15 C19 C20 61.7(17) C22 C15 C19 C21 -65.4(16) C15 C16 C17 C18 6.8(10) C16 C17 C18 C13 66.1(16) C16 C17 C18 C19 -38.3(13) C13 C18 C19 C15 -55.3(14) C13 C18 C19 C20 64.2(17) C13 C18 C19 C21 -173.(2) C17 C18 C19 C15 56.2(15) C17 C18 C19 C20 176.(3) C17 C18 C19 C21 -61.6(16) C1 C23 C24 C25 -179.(3) C28 C23 C24 C25 2.6(13) C1 C23 C28 C27 -179.(3) C24 C23 C28 C27 -0.4(13) C23 C24 C25 C26 -4.2(13) C24 C25 C26 C27 3.8(13) C25 C26 C27 C28 -1.8(13) C26 C27 C28 C23 0.1(13) C2 C29 C30 C31 -179.(2) C34 C29 C30 C31 0.7(12) C2 C29 C34 C33 179.(2) C30 C29 C34 C33 -1.1(13) C29 C30 C31 C32 -2.3(13) C30 C31 C32 C33 4.2(13) C31 C32 C33 C34 -4.4(13) C32 C33 C34 C29 2.9(13)