Borylation and rearrangement reactions of azasilaanthracenes to afford B,N-doped nanographenes.
Zender, Elena; Valverde, Danillo; Neubaur, Robert; Karger, Sebastian; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Olivier, Yoann; Wagner, Matthias; Dalton transactions (Cambridge, England : 2003) 53 (2024) 9294–9300; doi:10.1039/d4dt01166j

data_7715976
_publ_section_title
;
 Borylation and rearrangement reactions of azasilaanthracenes to afford
 B,N-doped nanographenes.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9294
_journal_page_last               9300
_journal_paper_doi               10.1039/d4dt01166j
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C69 H60 B3 N3, 4(C2 H3 N)'
_chemical_formula_sum            'C77 H72 B3 N7'
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_audit_update_record
;
2024-05-06 deposited with the CCDC.	2024-05-08 downloaded from the CCDC.
;
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_diffrn_detector                 'image plate'
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_diffrn_measurement_device       '2-circle goniometer'
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_diffrn_measurement_method       \w
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.43a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
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_exptl_crystal_description       block
_exptl_crystal_F_000             2392
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_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0864
_refine_ls_R_factor_gt           0.0575
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0815P)^2^+3.2179P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1501
_refine_ls_wR_factor_ref         0.1670
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6279
_reflns_number_total             8962
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           wa3376
_cod_depositor_comments
'Adding full bibliography for 7715973--7715981.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7715976
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.972
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_shelx_res_checksum              37348