#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/39/2003976.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_2003976
loop_
_publ_author_name
'Tani, K.'
'Onouchi, J.'
'Yamagata, T.'
'Kataoka, Y.'
_publ_section_title
;(1S,2S)-(+)-1,2-Bis[(dicyclohexyl)phosphinomethyl]cyclopentane.2CS₂
 and (+-)-1,2-Bis(dicyclohexylphosphinomethyl)cyclopentane
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2073
_journal_page_last               2076
_journal_paper_doi               10.1107/S0108270195004033
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'crystallization from CS₂-ethanol'
_chemical_formula_moiety         'C31 H56 P2 , 2C S2'
_chemical_formula_sum            'C33 H56 P2 S4'
_chemical_formula_weight         643.02
_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'
_atom_type_scat_source           'IntTabIV Table 2.2B'
_cell_angle_alpha                90
_cell_angle_beta                 107.84(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.000(3)
_cell_length_b                   25.705(6)
_cell_length_c                   7.323(2)
_cell_measurement_reflns_used    41
_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      28.7
_cell_measurement_theta_min      20.0
_cell_volume                     1791.9(9)
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       ω-2θ
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.021
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6268
_diffrn_reflns_theta_max         63.0
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.40
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.886
_exptl_absorpt_correction_type
'empirical, \y scan (North, Philips & Mathews,1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.192
_exptl_crystal_density_meas      1.205(1)
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.84
_refine_diff_density_min         -0.62
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.771
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     519
_refine_ls_number_reflns         4941
_refine_ls_R_factor_obs          0.047
_refine_ls_shift/esd_max         0.0019
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/σ²(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.048
_reflns_number_observed          4941
_reflns_number_total             5789
_reflns_observed_criterion       Fo>2\s(Fo)
_cod_data_source_file            as1173.cif
_cod_data_source_block           1
_cod_depositor_comments
;
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        1791.9(8)
_cod_original_sg_symbol_Hall     'P 2y1'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2003976
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
P(1) 0.8032(1) 0.2500 0.6434(2) 0.035(1)
P(2) 0.9125(1) 0.4791(1) 0.5149(2) 0.034(1)
C(1) 0.7349(6) 0.3161(2) 0.6001(8) 0.040(3)
C(2) 0.6902(4) 0.3367(2) 0.3937(6) 0.033(2)
C(3) 0.5340(5) 0.3280(2) 0.2829(8) 0.044(2)
C(4) 0.4998(6) 0.3693(2) 0.1266(9) 0.055(3)
C(5) 0.6155(6) 0.4094(2) 0.1812(9) 0.054(3)
C(6) 0.7044(4) 0.3963(2) 0.3859(7) 0.035(2)
C(7) 0.8599(4) 0.4130(2) 0.4355(8) 0.038(2)
C(8) 0.9863(4) 0.2492(2) 0.6444(7) 0.042(2)
C(9) 1.0076(5) 0.2643(2) 0.4534(9) 0.053(3)
C(10) 1.1642(6) 0.2561(3) 0.4682(12) 0.072(4)
C(11) 1.2612(7) 0.2865(3) 0.6347(14) 0.082(5)
C(12) 1.2346(6) 0.2729(3) 0.8218(14) 0.080(4)
C(13) 1.0806(6) 0.2813(3) 0.8104(10) 0.064(3)
C(14) 0.6990(4) 0.2064(2) 0.4578(7) 0.036(2)
C(15) 0.5534(5) 0.1966(2) 0.4869(8) 0.044(3)
C(16) 0.4633(6) 0.1642(2) 0.3233(9) 0.052(3)
C(17) 0.5341(6) 0.1123(2) 0.3077(9) 0.053(3)
C(18) 0.6760(6) 0.1226(2) 0.2781(9) 0.050(3)
C(19) 0.7716(6) 0.1546(2) 0.4421(9) 0.048(3)
C(20) 0.8053(5) 0.5259(2) 0.3420(7) 0.036(2)
C(21) 0.8793(5) 0.5774(2) 0.3238(9) 0.044(3)
C(22) 0.7816(6) 0.6108(2) 0.1689(9) 0.050(3)
C(23) 0.6428(6) 0.6217(2) 0.2113(9) 0.051(3)
C(24) 0.5701(6) 0.5714(2) 0.2307(9) 0.052(3)
C(25) 0.6676(5) 0.5373(2) 0.3866(8) 0.044(3)
C(26) 1.0967(5) 0.4844(2) 0.5249(7) 0.038(2)
C(27) 1.1928(5) 0.4519(2) 0.6901(9) 0.054(3)
C(28) 1.3463(5) 0.4619(3) 0.7025(11) 0.071(4)
C(29) 1.3737(7) 0.4508(3) 0.5165(13) 0.083(4)
C(30) 1.2770(6) 0.4818(3) 0.3533(11) 0.071(4)
C(31) 1.1220(6) 0.4712(2) 0.3334(9) 0.055(3)
C(32) 0.7929(5) 0.2275(2) 0.8764(7) 0.045(2)
S(1) 0.8953(2) 0.1766(1) 0.9647(2) 0.072(1)
S(2) 0.6806(2) 0.2583(1) 0.9637(2) 0.068(1)
C(33) 0.9022(5) 0.4921(2) 0.7567(8) 0.050(3)
S(3) 0.8335(2) 0.4471(1) 0.8591(2) 0.097(1)
S(4) 0.9706(2) 0.5498(1) 0.8385(2) 0.071(1)
H(11) 0.822(7) 0.339(2) 0.693(9) 0.052
H(12) 0.685(7) 0.320(3) 0.663(10) 0.052
H(2) 0.745(7) 0.320(2) 0.325(10) 0.052
H(31) 0.477(6) 0.334(2) 0.384(10) 0.052
H(32) 0.507(6) 0.291(2) 0.227(9) 0.052
H(41) 0.423(7) 0.385(2) 0.131(10) 0.052
H(42) 0.482(6) 0.354(3) 0.005(10) 0.052
H(51) 0.584(6) 0.446(3) 0.146(9) 0.052
H(52) 0.667(7) 0.409(3) 0.091(10) 0.052
H(6) 0.676(7) 0.411(2) 0.484(9) 0.052
H(71) 0.907(6) 0.392(2) 0.544(10) 0.052
H(72) 0.890(6) 0.408(2) 0.313(9) 0.052
H(8) 1.013(6) 0.210(3) 0.668(9) 0.052
H(91) 0.988(6) 0.301(3) 0.428(9) 0.052
H(92) 0.927(6) 0.243(2) 0.332(9) 0.052
H(101) 1.165(7) 0.269(3) 0.351(10) 0.052
H(102) 1.191(6) 0.215(3) 0.474(9) 0.052
H(111) 1.236(6) 0.325(3) 0.609(9) 0.052
H(112) 1.357(7) 0.277(2) 0.639(9) 0.052
H(121) 1.270(6) 0.299(3) 0.921(10) 0.052
H(122) 1.259(6) 0.235(3) 0.823(9) 0.052
H(131) 1.062(7) 0.280(2) 0.933(10) 0.052
H(132) 1.051(7) 0.319(2) 0.780(9) 0.052
H(14) 0.683(6) 0.226(2) 0.331(10) 0.052
H(151) 0.507(6) 0.231(3) 0.483(9) 0.052
H(152) 0.572(6) 0.176(2) 0.611(10) 0.052
H(161) 0.441(6) 0.184(2) 0.199(10) 0.052
H(162) 0.369(6) 0.161(2) 0.337(9) 0.052
H(171) 0.470(7) 0.093(2) 0.210(10) 0.052
H(172) 0.545(6) 0.091(3) 0.422(10) 0.052
H(181) 0.664(6) 0.141(2) 0.153(11) 0.052
H(182) 0.724(6) 0.092(3) 0.262(10) 0.052
H(191) 0.855(6) 0.160(2) 0.420(10) 0.052
H(192) 0.793(6) 0.136(2) 0.568(10) 0.052
H(20) 0.781(6) 0.503(2) 0.214(10) 0.052
H(211) 0.957(7) 0.567(2) 0.283(9) 0.052
H(212) 0.901(7) 0.594(2) 0.455(10) 0.052
H(221) 0.762(6) 0.591(2) 0.043(10) 0.052
H(222) 0.832(6) 0.647(2) 0.142(9) 0.052
H(231) 0.593(6) 0.645(3) 0.121(10) 0.052
H(232) 0.661(6) 0.643(2) 0.341(10) 0.052
H(241) 0.544(6) 0.551(2) 0.113(9) 0.052
H(242) 0.487(7) 0.579(2) 0.268(10) 0.052
H(251) 0.692(6) 0.557(2) 0.513(10) 0.052
H(252) 0.625(6) 0.505(2) 0.411(9) 0.052
H(26) 1.116(6) 0.521(2) 0.562(9) 0.052
H(271) 1.173(6) 0.411(2) 0.688(9) 0.052
H(272) 1.177(6) 0.466(2) 0.811(10) 0.052
H(281) 1.417(6) 0.442(2) 0.807(9) 0.052
H(282) 1.382(6) 0.505(2) 0.759(9) 0.052
H(291) 1.356(6) 0.408(3) 0.468(9) 0.052
H(292) 1.476(7) 0.459(2) 0.536(9) 0.052
H(301) 1.293(7) 0.475(3) 0.246(10) 0.052
H(302) 1.285(6) 0.526(2) 0.379(9) 0.052
H(311) 1.064(6) 0.495(2) 0.232(9) 0.052
H(312) 1.096(6) 0.431(3) 0.293(9) 0.052
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
C(1) P(1) C(8) 109.4(3) yes
C(1) P(1) C(32) 109.3(3) yes
C(8) P(1) C(32) 109.5(3) yes
C(7) P(2) C(20) 109.9(3) yes
C(7) P(2) C(33) 112.4(3) yes
C(20) P(2) C(33) 110.7(3) yes
P(1) C(1) C(2) 118.2(3) yes
P(1) C(8) C(9) 114.5(4) yes
P(1) C(8) C(13) 111.7(4) yes
P(1) C(14) C(18) 149.6(2) no
P(2) C(20) C(21) 115.3(4) yes
P(2) C(20) C(25) 110.5(4) yes
P(2) C(26) C(30) 148.6(3) no
P(1) C(32) S(1) 113.9(2) yes
S(1) C(32) S(2) 129.5(4) yes
P(2) C(33) S(4) 111.7(3) yes
C(1) P(1) C(14) 110.2(3) yes
C(8) P(1) C(14) 109.9(3) yes
C(14) P(1) C(32) 108.5(2) yes
C(7) P(2) C(26) 105.7(3) yes
C(20) P(2) C(26) 110.4(3) yes
C(26) P(2) C(33) 107.6(2) yes
P(2) C(7) C(6) 120.4(3) yes
P(1) C(8) C(12) 146.5(3) no
P(1) C(14) C(15) 110.0(4) yes
P(1) C(14) C(19) 114.4(3) yes
P(2) C(20) C(22) 150.1(2) no
P(2) C(26) C(27) 111.7(3) yes
P(2) C(26) C(31) 113.2(3) yes
P(1) C(32) S(2) 116.5(4) yes
P(2) C(33) S(3) 118.0(3) yes
S(3) C(33) S(4) 130.3(3) yes
C(1) C(2) C(3) 114.3(4) no
C(3) C(2) C(6) 102.4(4) no
C(3) C(4) C(5) 107.4(4) no
C(2) C(6) C(5) 102.9(5) no
C(5) C(6) C(7) 114.2(4) no
C(8) C(9) C(10) 108.8(6) no
C(10) C(11) C(12) 111.2(8) no
C(8) C(13) C(12) 109.4(7) no
C(14) C(15) C(16) 109.7(6) no
C(16) C(17) C(18) 109.4(6) no
C(14) C(19) C(18) 109.3(6) no
C(20) C(21) C(22) 109.5(6) no
C(22) C(23) C(24) 110.7(6) no
C(20) C(25) C(24) 111.0(5) no
C(26) C(27) C(28) 109.2(6) no
C(28) C(29) C(30) 111.5(7) no
C(26) C(31) C(30) 108.5(5) no
C(1) C(2) C(6) 112.2(3) no
C(2) C(3) C(4) 104.7(5) no
C(4) C(5) C(6) 106.1(4) no
C(2) C(6) C(7) 111.4(4) no
C(9) C(8) C(13) 111.5(5) no
C(9) C(10) C(11) 111.6(6) no
C(11) C(12) C(13) 111.7(7) no
C(15) C(14) C(19) 110.7(5) no
C(15) C(16) C(17) 111.3(5) no
C(17) C(18) C(19) 111.5(5) no
C(21) C(20) C(25) 109.9(5) no
C(21) C(22) C(23) 111.5(5) no
C(23) C(24) C(25) 110.3(6) no
C(27) C(26) C(31) 111.1(5) no
C(27) C(28) C(29) 112.0(6) no
C(29) C(30) C(31) 111.3(7) no
C(2) C(1) H(11) 111(4) no
C(1) C(2) H(2) 109(4) no
C(6) C(2) H(2) 112(4) no
C(2) C(3) H(32) 116(4) no
C(4) C(3) H(32) 112(4) no
C(3) C(4) H(42) 111(4) no
C(5) C(4) H(42) 116(4) no
C(4) C(5) H(52) 110(4) no
C(6) C(5) H(52) 114(4) no
C(5) C(6) H(6) 116(4) no
C(6) C(7) H(71) 104(4) no
C(9) C(8) H(8) 107(4) no
C(8) C(9) H(91) 110(4) no
C(10) C(9) H(91) 107(4) no
C(9) C(10) H(101) 101(4) no
C(11) C(10) H(101) 112(4) no
C(10) C(11) H(111) 107(4) no
C(12) C(11) H(111) 107(4) no
C(11) C(12) H(121) 113(4) no
C(13) C(12) H(121) 94(4) no
C(8) C(13) H(131) 118(4) no
C(12) C(13) H(131) 115(4) no
C(15) C(14) H(14) 108(4) no
C(14) C(15) H(151) 108(4) no
C(16) C(15) H(151) 108(4) no
C(15) C(16) H(161) 111(4) no
C(17) C(16) H(161) 110(4) no
C(16) C(17) H(171) 107(5) no
C(2) C(1) H(12) 119(5) no
C(3) C(2) H(2) 108(4) no
C(2) C(3) H(31) 107(4) no
C(4) C(3) H(31) 112(4) no
C(3) C(4) H(41) 107(5) no
C(5) C(4) H(41) 107(5) no
C(4) C(5) H(51) 115(4) no
C(6) C(5) H(51) 120(4) no
C(2) C(6) H(6) 109(4) no
C(7) C(6) H(6) 104(4) no
C(6) C(7) H(72) 107(4) no
C(13) C(8) H(8) 109(4) no
C(8) C(9) H(92) 109(3) no
C(10) C(9) H(92) 117(3) no
C(9) C(10) H(102) 111(4) no
C(11) C(10) H(102) 112(4) no
C(10) C(11) H(112) 106(4) no
C(12) C(11) H(112) 111(4) no
C(11) C(12) H(122) 97(4) no
C(13) C(12) H(122) 112(4) no
C(8) C(13) H(132) 106(4) no
C(12) C(13) H(132) 111(4) no
C(19) C(14) H(14) 107(4) no
C(14) C(15) H(152) 107(4) no
C(16) C(15) H(152) 109(4) no
C(15) C(16) H(162) 109(4) no
C(17) C(16) H(162) 114(4) no
C(16) C(17) H(172) 111(4) no
C(18) C(17) H(171) 116(5) no
C(17) C(18) H(181) 111(5) no
C(19) C(18) H(181) 110(5) no
C(14) C(19) H(191) 111(5) no
C(18) C(19) H(191) 109(5) no
C(21) C(20) H(20) 113(4) no
C(20) C(21) H(211) 105(4) no
C(22) C(21) H(211) 109(4) no
C(21) C(22) H(221) 107(4) no
C(23) C(22) H(221) 110(4) no
C(22) C(23) H(231) 108(5) no
C(24) C(23) H(231) 117(5) no
C(23) C(24) H(241) 113(4) no
C(25) C(24) H(241) 107(4) no
C(20) C(25) H(251) 108(4) no
C(24) C(25) H(251) 109(4) no
C(27) C(26) H(26) 106(4) no
C(26) C(27) H(271) 117(4) no
C(28) C(27) H(271) 110(4) no
C(27) C(28) H(281) 115(4) no
C(29) C(28) H(281) 108(4) no
C(28) C(29) H(291) 114(3) no
C(30) C(29) H(291) 105(4) no
C(29) C(30) H(301) 111(5) no
C(31) C(30) H(301) 110(5) no
C(26) C(31) H(311) 109(4) no
C(30) C(31) H(311) 108(4) no
C(18) C(17) H(172) 111(4) no
C(17) C(18) H(182) 114(4) no
C(19) C(18) H(182) 109(4) no
C(14) C(19) H(192) 109(4) no
C(18) C(19) H(192) 112(4) no
C(25) C(20) H(20) 108(4) no
C(20) C(21) H(212) 105(4) no
C(22) C(21) H(212) 112(4) no
C(21) C(22) H(222) 113(4) no
C(23) C(22) H(222) 112(4) no
C(22) C(23) H(232) 111(4) no
C(24) C(23) H(232) 108(4) no
C(23) C(24) H(242) 109(4) no
C(25) C(24) H(242) 108(4) no
C(20) C(25) H(252) 110(4) no
C(24) C(25) H(252) 114(4) no
C(31) C(26) H(26) 113(4) no
C(26) C(27) H(272) 106(4) no
C(28) C(27) H(272) 108(4) no
C(27) C(28) H(282) 111(3) no
C(29) C(28) H(282) 112(3) no
C(28) C(29) H(292) 107(4) no
C(30) C(29) H(292) 113(4) no
C(29) C(30) H(302) 113(3) no
C(31) C(30) H(302) 102(3) no
C(26) C(31) H(312) 112(4) no
C(30) C(31) H(312) 110(4) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
P(1) C(1) 1.824(6) yes
P(1) C(14) 1.822(6) yes
P(2) C(7) 1.821(6) yes
P(2) C(26) 1.825(5) yes
C(32) S(1) 1.664(6) yes
C(33) S(3) 1.639(6) yes
P(1) C(8) 1.828(6) yes
P(1) C(32) 1.835(5) yes
P(2) C(20) 1.834(6) yes
P(2) C(33) 1.835(6) yes
C(32) S(2) 1.654(6) yes
C(33) S(4) 1.667(6) yes
C(1) C(2) 1.533(7) no
C(2) C(6) 1.541(7) no
C(4) C(5) 1.509(9) no
C(6) C(7) 1.546(8) no
C(8) C(13) 1.531(9) no
C(10) C(11) 1.520(10) no
C(12) C(13) 1.530(10) no
C(14) C(19) 1.538(9) no
C(16) C(17) 1.530(10) no
C(18) C(19) 1.530(10) no
C(20) C(25) 1.538(8) no
C(22) C(23) 1.538(9) no
C(24) C(25) 1.530(9) no
C(26) C(31) 1.537(8) no
C(28) C(29) 1.500(10) no
C(30) C(31) 1.540(10) no
C(2) C(3) 1.540(8) no
C(3) C(4) 1.520(9) no
C(5) C(6) 1.527(8) no
C(8) C(9) 1.528(9) no
C(9) C(10) 1.550(10) no
C(11) C(12) 1.510(10) no
C(14) C(15) 1.555(8) no
C(15) C(16) 1.511(9) no
C(17) C(18) 1.520(10) no
C(20) C(21) 1.542(8) no
C(21) C(22) 1.517(9) no
C(23) C(24) 1.510(10) no
C(26) C(27) 1.540(9) no
C(27) C(28) 1.530(10) no
C(29) C(30) 1.510(10) no
C(1) H(11) 1.10(7) no
C(2) H(2) 0.96(7) no
C(3) H(32) 1.03(7) no
C(4) H(42) 0.95(7) no
C(5) H(52) 0.96(7) no
C(7) H(71) 0.95(7) no
C(8) H(8) 1.04(7) no
C(9) H(92) 1.14(7) no
C(10) H(102) 1.10(7) no
C(11) H(112) 0.98(7) no
C(12) H(122) 1.00(7) no
C(13) H(132) 1.02(7) no
C(15) H(151) 1.00(7) no
C(16) H(161) 1.00(7) no
C(17) H(171) 0.94(7) no
C(18) H(181) 1.00(8) no
C(19) H(191) 0.90(7) no
C(20) H(20) 1.07(7) no
C(21) H(212) 1.01(7) no
C(22) H(222) 1.10(7) no
C(23) H(232) 1.06(7) no
C(24) H(242) 0.97(7) no
C(25) H(252) 0.98(7) no
C(27) H(271) 1.07(7) no
C(28) H(281) 1.01(7) no
C(29) H(292) 1.00(7) no
C(30) H(302) 1.14(7) no
C(31) H(312) 1.09(7) no
C(1) H(12) 0.79(7) no
C(3) H(31) 1.08(7) no
C(4) H(41) 0.87(7) no
C(5) H(51) 1.01(7) no
C(6) H(6) 0.93(7) no
C(7) H(72) 1.04(7) no
C(9) H(91) 0.96(7) no
C(10) H(101) 0.93(7) no
C(11) H(111) 1.02(7) no
C(12) H(121) 0.97(7) no
C(13) H(131) 0.98(8) no
C(14) H(14) 1.02(7) no
C(15) H(152) 1.02(7) no
C(16) H(162) 0.98(7) no
C(17) H(172) 0.98(7) no
C(18) H(182) 0.95(7) no
C(19) H(192) 1.01(8) no
C(21) H(211) 0.95(7) no
C(22) H(221) 1.02(7) no
C(23) H(231) 0.92(7) no
C(24) H(241) 0.98(7) no
C(25) H(251) 1.01(7) no
C(26) H(26) 0.99(7) no
C(27) H(272) 1.01(7) no
C(29) H(291) 1.16(7) no
C(30) H(301) 0.86(7) no
C(31) H(311) 1.00(7) no
