Using the Wittig reaction to produce alkenylcarbaboranes.
Sousa-Pedrares, Antonio; Viñas, Clara; Teixidor, Francesc; Chemical communications (Cambridge, England) 46 (2010) 2998–3000; doi:10.1039/b921122e

data_7105465
_publ_section_title
;
 Using the Wittig reaction to produce alkenylcarbaboranes.
;
_journal_issue                   17
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2998
_journal_page_last               3000
_journal_paper_doi               10.1039/b921122e
_journal_volume                  46
_journal_year                    2010
_chemical_formula_sum            'C18 H22 B10'
_chemical_formula_weight         346.46
_chemical_name_systematic
;
?
;
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yac'
_symmetry_space_group_name_H-M   'P 1 n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 97.0820(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.7778(3)
_cell_length_b                   14.5476(3)
_cell_length_c                   19.4191(4)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      21.5485
_cell_measurement_theta_min      2.8085
_cell_volume                     3862.55(14)
_computing_cell_refinement       'BRUKER APEX'
_computing_data_collection       'BRUKER APEX'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker X8 KappaAPEXII'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_min       -17
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_diffrn_reflns_limit_l_min       -24
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_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         1.40
_exptl_absorpt_coefficient_mu    0.059
_exptl_absorpt_correction_T_max  0.9959
_exptl_absorpt_correction_T_min  0.9888
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Sheldrick, G.M. SADABS: Program for absorption correction
using area detector data. University of G\"ottingen, Germany, 1996.
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.192
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1440
_exptl_crystal_size_max          0.19
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_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.370
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_refine_ls_R_factor_all          0.0909
_refine_ls_R_factor_gt           0.0586
_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/[\s^2^(Fo^2^)+(0.0681P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1223
_refine_ls_wR_factor_ref         0.1365
_reflns_number_gt                5405
_reflns_number_total             7889
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b921122e.txt
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_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_sg_symbol_H-M      'P n'
_cod_database_code               7105465