Synthesis and characterization of heterofluorenes containing four-coordinated group 13 elements: theoretical and experimental analyses and comparison of structures, optical properties and electronic states.
Matsumoto, Takuya; Tanaka, Kazuo; Tanaka, Kazuyoshi; Chujo, Yoshiki; Dalton transactions (Cambridge, England : 2003) 44 (2015) 8697–8707; doi:10.1039/c5dt00718f

data_7034764
_publ_section_title
;
 Synthesis and characterization of heterofluorenes containing
 four-coordinated group 13 elements: theoretical and experimental analyses
 and comparison of structures, optical properties and electronic states.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8697
_journal_page_last               8707
_journal_paper_doi               10.1039/c5dt00718f
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C29 H36 B N'
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-03-23 deposited with the CCDC.
2015-03-26 downloaded from the CCDC.
;
_cell_angle_alpha                107.085(8)
_cell_angle_beta                 95.758(7)
_cell_angle_gamma                92.208(7)
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_cell_length_b                   11.6890(15)
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_cell_measurement_temperature    93(2)
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_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'Yadokari-XG (Wakita, Nemoto et al., 2009)'
_computing_molecular_graphics    'Yadokari-XG (Wakita, Nemoto et al., 2009)'
_computing_publication_material  'Yadokari-XG (Wakita, Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      93(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'rigaku raxis rapid'
_diffrn_measurement_method       'oscillation method'
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_diffrn_radiation_source         'fine-focus sealed tube'
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_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.130
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_depositor_comments
'Adding full bibliography for 7034763--7034766.cif.'
_cod_original_sg_symbol_H-M      P-1
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