Successive carbene insertion into 9-phenyl-9-borafluorene.
Bartholome, Tyler A.; Bluer, Kristen R.; Martin, Caleb D.; Dalton transactions (Cambridge, England : 2003) 48 (2019) 6319–6322; doi:10.1039/c9dt01032g

data_7049492
_publ_section_title
;
 Successive carbene insertion into 9-phenyl-9-borafluorene.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6319
_journal_page_last               6322
_journal_paper_doi               10.1039/c9dt01032g
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C22 H23 B Si'
_chemical_formula_sum            'C22 H23 B Si'
_chemical_formula_weight         326.30
_chemical_properties_physical    Air-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2019-03-06 deposited with the CCDC.    2019-03-27 downloaded from the CCDC.
;
_cell_angle_alpha                86.856(5)
_cell_angle_beta                 79.281(5)
_cell_angle_gamma                74.582(5)
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_cell_length_b                   9.8166(16)
_cell_length_c                   13.857(2)
_cell_measurement_reflns_used    9908
_cell_measurement_temperature    150(2)
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_cell_measurement_theta_min      2.61
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_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0567
_diffrn_reflns_av_unetI/netI     0.0618
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       8
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_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
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_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.600
_diffrn_reflns_theta_min         2.614
_exptl_absorpt_coefficient_mu    0.126
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.9234
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABs
_exptl_crystal_colour            yellow
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_exptl_crystal_description       block
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_refine_diff_density_max         0.243
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_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         3479
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0906
_refine_ls_R_factor_gt           0.0487
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0380P)^2^+0.3580P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0934
_refine_ls_wR_factor_ref         0.1068
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2368
_reflns_number_total             3479
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt01032g2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7049492--7049493.cif.'
_cod_original_cell_volume        927.7(3)
_cod_database_code               7049492
_shelx_estimated_absorpt_t_min   0.6881
_shelx_estimated_absorpt_t_max   0.7452
_shelxl_version_number           2013-4
_shelx_res_checksum              75318