Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence in Naphthyl Appended Carbazole-Quinoline Conjugate, and their Mechanical Regulation
Bhattacharjee, Indranil; Acharya, Nirmalya; ray, debdas; Chemical Communications  (2019) –; doi:10.1039/C8CC09220F

data_7122790
_publ_section_title
;
 Thermally Activated Delayed Fluorescence and Room-Temperature
 Phosphorescence in Naphthyl Appended Carbazole-Quinoline Conjugate, and
 their Mechanical Regulation
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C8CC09220F
_journal_year                    2019
_chemical_formula_moiety         'C37 H24 N2'
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2019-01-08 deposited with the CCDC.
2019-01-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0785P)^2^+0.6538P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1456
_refine_ls_wR_factor_ref         0.1997
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_reflns_number_gt                2659
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8cc09220f2.cif
_cod_data_source_block           CQPN
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-Scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               7122790
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.985
_shelx_estimated_absorpt_t_max   0.992
_shelx_res_checksum              15698