#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:01:37 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179737 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/33/7003321.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_7003321
loop_
_publ_author_name
'Chiu, Ching-Wen'
'Gabbaï, François P.'
_publ_section_title
;
 Cyanide ion complexation by a cationic borane
;
_journal_issue                   6
_journal_name_full               'Dalton Transactions'
_journal_page_first              814
_journal_page_last               817
_journal_paper_doi               10.1039/b715534d
_journal_year                    2008
_chemical_formula_moiety         1-{Mes2B}-CN-8-{CH2NMe3}C10H6
_chemical_formula_sum            'C33 H39 B N2'
_chemical_formula_weight         474.47
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.12(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.009(3)
_cell_length_b                   10.329(2)
_cell_length_c                   17.540(4)
_cell_measurement_temperature    163(2)
_cell_volume                     2705.5(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      163(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0763
_diffrn_reflns_av_sigmaI/netI    0.1087
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            13047
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.36
_exptl_absorpt_coefficient_mu    0.066
_exptl_absorpt_correction_T_max  0.9980
_exptl_absorpt_correction_T_min  0.9862
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.165
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.444
_refine_diff_density_min         -0.594
_refine_diff_density_rms         0.086
_refine_ls_extinction_coef       0.0052(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         4757
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.1393
_refine_ls_R_factor_gt           0.0865
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0049P)²+12.7300P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1762
_refine_ls_wR_factor_ref         0.1961
_reflns_number_gt                2677
_reflns_number_total             4757
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b715534d.txt
_cod_data_source_block           napcn
_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 
;
_cod_original_cell_volume        2705.5(9)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7003321
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
N1 N 0.3743(2) 0.5826(3) 0.2841(2) 0.0187(9) Uani 1 1 d . . .
N2 N 0.4037(3) 0.8171(4) 0.0524(3) 0.0281(10) Uani 1 1 d . . .
C25 C 0.0858(3) 1.0640(4) -0.1233(3) 0.0257(12) Uani 1 1 d . . .
H3A H 0.0266 1.0490 -0.1607 0.031 Uiso 1 1 calc R . .
C7 C 0.4942(3) 0.8208(5) 0.3281(3) 0.0258(12) Uani 1 1 d . . .
H4A H 0.5342 0.7499 0.3352 0.031 Uiso 1 1 calc R . .
C01 C 0.3886(3) 0.6853(4) 0.2226(3) 0.0199(11) Uani 1 1 d . . .
H5A H 0.4357 0.6543 0.2027 0.024 Uiso 1 1 calc R . .
H5B H 0.3324 0.6958 0.1749 0.024 Uiso 1 1 calc R . .
C9 C 0.3630(3) 0.9271(4) 0.2495(3) 0.0176(10) Uani 1 1 d . . .
C2 C 0.2433(3) 1.0564(4) 0.1769(3) 0.0215(11) Uani 1 1 d . . .
H7A H 0.1915 1.0759 0.1306 0.026 Uiso 1 1 calc R . .
C23 C 0.2081(3) 1.1831(5) -0.0819(3) 0.0228(11) Uani 1 1 d . . .
H8A H 0.2430 1.2558 -0.0852 0.027 Uiso 1 1 calc R . .
C16 C 0.1604(3) 0.7043(4) 0.1273(3) 0.0206(11) Uani 1 1 d . . .
C4 C 0.3415(3) 1.1377(4) 0.3117(3) 0.0245(11) Uani 1 1 d . . .
H10A H 0.3584 1.2009 0.3538 0.029 Uiso 1 1 calc R . .
C11 C 0.2064(3) 0.7305(4) 0.0721(3) 0.0182(10) Uani 1 1 d . . .
C21 C 0.2071(3) 0.9755(4) -0.0050(3) 0.0212(11) Uani 1 1 d . . .
C26 C 0.1221(3) 0.9679(5) -0.0616(3) 0.0222(11) Uani 1 1 d . . .
C5 C 0.4709(3) 1.0265(5) 0.3814(3) 0.0237(11) Uani 1 1 d . . .
H14A H 0.4865 1.0927 0.4217 0.028 Uiso 1 1 calc R . .
C10 C 0.3916(3) 1.0296(4) 0.3142(3) 0.0207(11) Uani 1 1 d . . .
C19 C 0.1424(3) 0.8038(5) 0.1866(3) 0.0270(12) Uani 1 1 d . . .
H16A H 0.1710 0.8864 0.1834 0.040 Uiso 1 1 calc R . .
H16B H 0.1673 0.7706 0.2427 0.040 Uiso 1 1 calc R . .
H16C H 0.0778 0.8167 0.1711 0.040 Uiso 1 1 calc R . .
C8 C 0.4164(3) 0.8151(4) 0.2661(3) 0.0187(10) Uani 1 1 d . . .
C6 C 0.5229(3) 0.9265(5) 0.3857(3) 0.0248(11) Uani 1 1 d . . .
H18A H 0.5805 0.9234 0.4276 0.030 Uiso 1 1 calc R . .
C1 C 0.2881(3) 0.9469(4) 0.1729(3) 0.0197(11) Uani 1 1 d . . .
C13 C 0.1679(3) 0.5117(5) 0.0109(3) 0.0259(12) Uani 1 1 d . . .
H20A H 0.1695 0.4477 -0.0275 0.031 Uiso 1 1 calc R . .
C27 C 0.3372(3) 1.1185(5) 0.0336(3) 0.0278(12) Uani 1 1 d . . .
H21A H 0.3565 1.1996 0.0161 0.042 Uiso 1 1 calc R . .
H21B H 0.3773 1.0483 0.0312 0.042 Uiso 1 1 calc R . .
H21C H 0.3390 1.1277 0.0898 0.042 Uiso 1 1 calc R . .
C29 C 0.0647(3) 0.8597(5) -0.0579(3) 0.0372(15) Uani 1 1 d . . .
H22A H 0.0068 0.8668 -0.1029 0.056 Uiso 1 1 calc R . .
H22B H 0.0554 0.8618 -0.0057 0.056 Uiso 1 1 calc R . .
H22C H 0.0934 0.7779 -0.0627 0.056 Uiso 1 1 calc R . .
C3 C 0.2667(3) 1.1478(4) 0.2454(3) 0.0234(11) Uani 1 1 d . . .
H23A H 0.2269 1.2174 0.2426 0.028 Uiso 1 1 calc R . .
C15 C 0.1232(3) 0.5830(4) 0.1252(3) 0.0230(11) Uani 1 1 d . . .
H24A H 0.0944 0.5636 0.1627 0.028 Uiso 1 1 calc R . .
C22 C 0.2474(3) 1.0890(4) -0.0195(3) 0.0199(11) Uani 1 1 d . . .
C24 C 0.1256(3) 1.1736(5) -0.1349(3) 0.0238(11) Uani 1 1 d . . .
C14 C 0.1268(3) 0.4851(5) 0.0681(3) 0.0239(11) Uani 1 1 d . . .
C28 C 0.0815(3) 1.2811(5) -0.1977(3) 0.0325(13) Uani 1 1 d . . .
H28A H 0.0200 1.2560 -0.2306 0.049 Uiso 1 1 calc R . .
H28B H 0.1158 1.2935 -0.2335 0.049 Uiso 1 1 calc R . .
H28C H 0.0807 1.3621 -0.1688 0.049 Uiso 1 1 calc R . .
C12 C 0.2057(3) 0.6313(4) 0.0114(3) 0.0241(11) Uani 1 1 d . . .
B1 B 0.2555(3) 0.8699(5) 0.0751(4) 0.0202(12) Uani 1 1 d . . .
C30 C 0.3415(3) 0.8365(4) 0.0606(3) 0.0209(11) Uani 1 1 d . . .
C02 C 0.3304(3) 0.4720(5) 0.2268(3) 0.0288(12) Uani 1 1 d . . .
H32A H 0.3174 0.4011 0.2581 0.043 Uiso 1 1 calc R . .
H32B H 0.3710 0.4411 0.2002 0.043 Uiso 1 1 calc R . .
H32C H 0.2745 0.5022 0.1853 0.043 Uiso 1 1 calc R . .
C03 C 0.3214(3) 0.6354(5) 0.3313(3) 0.0263(12) Uani 1 1 d . . .
H33A H 0.3148 0.5688 0.3685 0.039 Uiso 1 1 calc R . .
H33B H 0.2621 0.6616 0.2935 0.039 Uiso 1 1 calc R . .
H33C H 0.3524 0.7107 0.3629 0.039 Uiso 1 1 calc R . .
C04 C 0.4526(3) 0.5303(5) 0.3524(3) 0.0319(13) Uani 1 1 d . . .
H34A H 0.4317 0.4697 0.3847 0.048 Uiso 1 1 calc R . .
H34B H 0.4851 0.6016 0.3874 0.048 Uiso 1 1 calc R . .
H34C H 0.4925 0.4849 0.3301 0.048 Uiso 1 1 calc R . .
C18 C 0.0853(3) 0.3553(5) 0.0654(3) 0.0333(13) Uani 1 1 d . . .
H35A H 0.0946 0.3028 0.0227 0.050 Uiso 1 1 calc R . .
H35B H 0.0210 0.3655 0.0535 0.050 Uiso 1 1 calc R . .
H35C H 0.1130 0.3124 0.1184 0.050 Uiso 1 1 calc R . .
C17 C 0.2403(3) 0.6489(5) -0.0617(3) 0.0310(13) Uani 1 1 d . . .
H36A H 0.2318 0.5679 -0.0927 0.046 Uiso 1 1 calc R . .
H36B H 0.3041 0.6712 -0.0400 0.046 Uiso 1 1 calc R . .
H36C H 0.2066 0.7184 -0.0977 0.046 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C03 N1 C04 99.7(4) . . ?
C03 N1 C02 115.1(3) . . ?
C04 N1 C02 108.3(4) . . ?
C03 N1 C01 112.6(3) . . ?
C04 N1 C01 120.2(3) . . ?
C02 N1 C01 101.5(3) . . ?
C24 C25 C26 127.7(4) . . ?
C24 C25 H3A 116.2 . . ?
C26 C25 H3A 116.2 . . ?
C8 C7 C6 125.0(4) . . ?
C8 C7 H4A 117.5 . . ?
C6 C7 H4A 117.5 . . ?
C8 C01 N1 109.5(4) . . ?
C8 C01 H5A 109.8 . . ?
N1 C01 H5A 109.8 . . ?
C8 C01 H5B 109.8 . . ?
N1 C01 H5B 109.8 . . ?
H5A C01 H5B 108.2 . . ?
C8 C9 C1 122.9(4) . . ?
C8 C9 C10 115.3(4) . . ?
C1 C9 C10 121.6(4) . . ?
C1 C2 C3 126.6(4) . . ?
C1 C2 H7A 116.7 . . ?
C3 C2 H7A 116.7 . . ?
C24 C23 C22 122.9(4) . . ?
C24 C23 H8A 118.5 . . ?
C22 C23 H8A 118.5 . . ?
C15 C16 C11 118.3(4) . . ?
C15 C16 C19 115.7(4) . . ?
C11 C16 C19 126.0(4) . . ?
C3 C4 C10 115.0(5) . . ?
C3 C4 H10A 122.5 . . ?
C10 C4 H10A 122.5 . . ?
C16 C11 C12 118.9(4) . . ?
C16 C11 B1 120.2(4) . . ?
C12 C11 B1 120.9(4) . . ?
C26 C21 C22 108.6(4) . . ?
C26 C21 B1 126.3(4) . . ?
C22 C21 B1 125.0(4) . . ?
C21 C26 C25 122.5(4) . . ?
C21 C26 C29 119.2(4) . . ?
C25 C26 C29 118.3(4) . . ?
C6 C5 C10 115.8(5) . . ?
C6 C5 H14A 122.1 . . ?
C10 C5 H14A 122.1 . . ?
C4 C10 C5 113.2(4) . . ?
C4 C10 C9 122.5(4) . . ?
C5 C10 C9 124.3(4) . . ?
C16 C19 H16A 109.5 . . ?
C16 C19 H16B 109.5 . . ?
H16A C19 H16B 109.5 . . ?
C16 C19 H16C 109.5 . . ?
H16A C19 H16C 109.5 . . ?
H16B C19 H16C 109.5 . . ?
C7 C8 C9 117.0(4) . . ?
C7 C8 C01 117.8(4) . . ?
C9 C8 C01 125.0(4) . . ?
C5 C6 C7 121.3(4) . . ?
C5 C6 H18A 119.4 . . ?
C7 C6 H18A 119.4 . . ?
C2 C1 C9 110.2(4) . . ?
C2 C1 B1 116.3(4) . . ?
C9 C1 B1 132.8(4) . . ?
C12 C13 C14 119.1(5) . . ?
C12 C13 H20A 120.4 . . ?
C14 C13 H20A 120.4 . . ?
C22 C27 H21A 109.5 . . ?
C22 C27 H21B 109.5 . . ?
H21A C27 H21B 109.5 . . ?
C22 C27 H21C 109.5 . . ?
H21A C27 H21C 109.5 . . ?
H21B C27 H21C 109.5 . . ?
C26 C29 H22A 109.5 . . ?
C26 C29 H22B 109.5 . . ?
H22A C29 H22B 109.5 . . ?
C26 C29 H22C 109.5 . . ?
H22A C29 H22C 109.5 . . ?
H22B C29 H22C 109.5 . . ?
C4 C3 C2 123.0(4) . . ?
C4 C3 H23A 118.5 . . ?
C2 C3 H23A 118.5 . . ?
C16 C15 C14 122.0(4) . . ?
C16 C15 H24A 119.0 . . ?
C14 C15 H24A 119.0 . . ?
C21 C22 C23 127.0(4) . . ?
C21 C22 C27 118.5(4) . . ?
C23 C22 C27 114.5(4) . . ?
C23 C24 C25 111.4(4) . . ?
C23 C24 C28 122.3(4) . . ?
C25 C24 C28 126.2(4) . . ?
C13 C14 C15 120.3(4) . . ?
C13 C14 C18 118.0(5) . . ?
C15 C14 C18 121.6(4) . . ?
C24 C28 H28A 109.5 . . ?
C24 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C24 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C13 C12 C11 121.2(4) . . ?
C13 C12 C17 112.3(4) . . ?
C11 C12 C17 126.3(4) . . ?
C30 B1 C11 104.4(4) . . ?
C30 B1 C21 100.1(4) . . ?
C11 B1 C21 117.5(4) . . ?
C30 B1 C1 107.0(4) . . ?
C11 B1 C1 113.1(4) . . ?
C21 B1 C1 112.9(4) . . ?
N2 C30 B1 177.0(5) . . ?
N1 C02 H32A 109.5 . . ?
N1 C02 H32B 109.5 . . ?
H32A C02 H32B 109.5 . . ?
N1 C02 H32C 109.5 . . ?
H32A C02 H32C 109.5 . . ?
H32B C02 H32C 109.5 . . ?
N1 C03 H33A 109.5 . . ?
N1 C03 H33B 109.5 . . ?
H33A C03 H33B 109.5 . . ?
N1 C03 H33C 109.5 . . ?
H33A C03 H33C 109.5 . . ?
H33B C03 H33C 109.5 . . ?
N1 C04 H34A 109.5 . . ?
N1 C04 H34B 109.5 . . ?
H34A C04 H34B 109.5 . . ?
N1 C04 H34C 109.5 . . ?
H34A C04 H34C 109.5 . . ?
H34B C04 H34C 109.5 . . ?
C14 C18 H35A 109.5 . . ?
C14 C18 H35B 109.5 . . ?
H35A C18 H35B 109.5 . . ?
C14 C18 H35C 109.5 . . ?
H35A C18 H35C 109.5 . . ?
H35B C18 H35C 109.5 . . ?
C12 C17 H36A 109.5 . . ?
C12 C17 H36B 109.5 . . ?
H36A C17 H36B 109.5 . . ?
C12 C17 H36C 109.5 . . ?
H36A C17 H36C 109.5 . . ?
H36B C17 H36C 109.5 . . ?
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
N1 C03 1.484(6) . ?
N1 C04 1.489(5) . ?
N1 C02 1.517(6) . ?
N1 C01 1.587(6) . ?
N2 C30 1.074(5) . ?
C25 C24 1.350(6) . ?
C25 C26 1.429(6) . ?
C25 H3A 0.9500 . ?
C7 C8 1.328(6) . ?
C7 C6 1.445(7) . ?
C7 H4A 0.9500 . ?
C01 C8 1.527(6) . ?
C01 H5A 0.9900 . ?
C01 H5B 0.9900 . ?
C9 C8 1.405(6) . ?
C9 C1 1.457(6) . ?
C9 C10 1.498(6) . ?
C2 C1 1.354(6) . ?
C2 C3 1.467(6) . ?
C2 H7A 0.9500 . ?
C23 C24 1.317(6) . ?
C23 C22 1.429(6) . ?
C23 H8A 0.9500 . ?
C16 C15 1.382(6) . ?
C16 C11 1.437(6) . ?
C16 C19 1.561(6) . ?
C4 C3 1.339(7) . ?
C4 C10 1.366(6) . ?
C4 H10A 0.9500 . ?
C11 C12 1.474(7) . ?
C11 B1 1.633(6) . ?
C21 C26 1.367(6) . ?
C21 C22 1.406(6) . ?
C21 B1 1.726(7) . ?
C26 C29 1.463(6) . ?
C5 C6 1.312(6) . ?
C5 C10 1.386(6) . ?
C5 H14A 0.9500 . ?
C19 H16A 0.9800 . ?
C19 H16B 0.9800 . ?
C19 H16C 0.9800 . ?
C6 H18A 0.9500 . ?
C1 B1 1.791(7) . ?
C13 C12 1.375(6) . ?
C13 C14 1.412(7) . ?
C13 H20A 0.9500 . ?
C27 C22 1.435(6) . ?
C27 H21A 0.9800 . ?
C27 H21B 0.9800 . ?
C27 H21C 0.9800 . ?
C29 H22A 0.9800 . ?
C29 H22B 0.9800 . ?
C29 H22C 0.9800 . ?
C3 H23A 0.9500 . ?
C15 C14 1.440(7) . ?
C15 H24A 0.9500 . ?
C24 C28 1.544(6) . ?
C14 C18 1.489(6) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C12 C17 1.580(7) . ?
B1 C30 1.527(6) . ?
C02 H32A 0.9800 . ?
C02 H32B 0.9800 . ?
C02 H32C 0.9800 . ?
C03 H33A 0.9800 . ?
C03 H33B 0.9800 . ?
C03 H33C 0.9800 . ?
C04 H34A 0.9800 . ?
C04 H34B 0.9800 . ?
C04 H34C 0.9800 . ?
C18 H35A 0.9800 . ?
C18 H35B 0.9800 . ?
C18 H35C 0.9800 . ?
C17 H36A 0.9800 . ?
C17 H36B 0.9800 . ?
C17 H36C 0.9800 . ?
