A new linear phenyloxazole–benzothiadiazole luminophore: crystal growth, structure and fluorescence properties
Postnikov, Valery A.; Sorokina, Natalia I.; Kulishov, Artem A.; Lyasnikova, Maria S.; Sorokin, Timofei A.; Freidzon, Alexandra Ya.; Stepko, Anastasia S.; Borshchev, Oleg V.; Skorotetsky, Maxim S.; Surin, Nikolay M.; Svidchenko, Evgeniya A.; Ponomarenko, Sergey A.; Acta Crystallographica Section B 78 (2022) 261–269; doi:10.1107/S2052520622001846

data_2108959
_publ_section_title
;
 A new linear phenyloxazole--benzothiadiazole luminophore: crystal growth,
 structure and fluorescence properties
;
_journal_coeditor_code           AW5065SUP1
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              261
_journal_page_last               269
_journal_paper_doi               10.1107/S2052520622001846
_journal_volume                  78
_journal_year                    2022
_chemical_formula_sum            'C24 H14 N4 O2 S'
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_space_group_name_Hall           '-P 2yn'
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_symmetry_cell_setting           monoclinic
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_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.000(5)
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_cell_angle_gamma                90.000(5)
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;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Analytical numeric absorption correction using a multifaceted crystal
   model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'translucent light yellow'
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_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0936
_refine_ls_R_factor_gt           0.0372
_refine_ls_shift/su_max          0.0487
_refine_ls_shift/su_mean         0.0079
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
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_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            aw5065sup1.cif
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_cod_original_sg_symbol_Hall     '-P 2yabc'
_cod_original_formula_sum        'C24 H14 N4 O2 S1'
_cod_database_code               2108959
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_cod_database_fobs_code 2108959