Positional effects of fluorine substitution on room temperature phosphorescence in hexaphenylmelamine derivatives
Guo, Qiang; Huang, Zixuan; Liu, Jiaqi; Li, Xiaoyu; Zheng, Yanqiong; Gao, Xiuying; Liu, Hui; Li, Jie; New Journal of Chemistry 49 (2025) 674–678; doi:10.1039/D4NJ04627G

data_7063573
_publ_section_title
;
 Positional effects of fluorine substitution on room temperature
 phosphorescence in hexaphenylmelamine derivatives
;
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              674
_journal_page_last               678
_journal_paper_doi               10.1039/D4NJ04627G
_journal_volume                  49
_journal_year                    2025
_chemical_formula_sum            'C39 H29 F N6'
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_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
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_audit_block_doi                 10.5517/ccdc.csd.cc278khl
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-02-19 deposited with the CCDC.	2024-12-09 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_max 0.985
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_h_min       -17
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_exptl_absorpt_coefficient_mu    0.649
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            colorless
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_exptl_crystal_description       Block
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_exptl_crystal_size_mid          0.200
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0738P)^2^+2.5495P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1334
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_reflns_number_gt                937
_reflns_number_total             1011
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4nj04627g2.cif
_cod_data_source_block           yjs-gq-183
_cod_depositor_comments
'Adding full bibliography for 7063573--7063575.cif.'
_cod_original_cell_volume        4677.6(6)
_cod_database_code               7063573
_shelx_shelxl_version_number     2014/7
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_shelx_res_checksum              88002