Luminescent organoboron ladder compounds via directed electrophilic aromatic C-H borylation.
Yusuf, Mayyadah; Liu, Kanglei; Guo, Fang; Lalancette, Roger A.; Jäkle, Frieder; Dalton transactions (Cambridge, England : 2003) 45 (2016) 4580–4587; doi:10.1039/c5dt05077d

data_7038206
_publ_section_title
;
 Luminescent organoboron ladder compounds via directed electrophilic
 aromatic C-H borylation.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4580
_journal_page_last               4587
_journal_paper_doi               10.1039/c5dt05077d
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C61 H42 B2 F20 N2'
_chemical_formula_sum            'C61 H42 B2 F20 N2'
_chemical_formula_weight         1204.58
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2015-11-11 deposited with the CCDC.
2016-01-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_length_c                   30.455(1)
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_computing_cell_refinement       'Bruker SAINT'
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_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
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_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
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_diffrn_reflns_number            22253
_diffrn_reflns_point_group_measured_fraction_full 0.928
_diffrn_reflns_point_group_measured_fraction_max 0.901
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_type   numerical
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'Re-crystallisation from solvent: diethyl ether, acetonitrile'
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_refine_ls_restrained_S_all      1.077
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_refine_ls_R_factor_gt           0.0525
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0724P)^2^+8.1269P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1372
_refine_ls_wR_factor_ref         0.1445
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3738
_reflns_number_total             4553
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7038205--7038206.cif.'
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_cod_database_code               7038206
_shelx_estimated_absorpt_t_min   0.735
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_exptl_absorpt_special_details
'crystal mounted on a Cryoloop using Paratone-N'
_shelx_res_checksum              21175