Tunable microstructures of ultralong organic phosphorescence materials.
Liu, Kun; Huang, Kaiwei; Lv, Anqi; Ye, Wenpeng; Yang, Yijun; Shen, Kang; Zhi, Jiahuan; Wang, He; Zhang, Renxiang; Wang, Jiamin; Ma, Huili; Shi, Huifang; Yao, Wei; An, Zhongfu; Huang, Wei; Chemical communications (Cambridge, England) 57 (2021) 7276–7279; doi:10.1039/d1cc01563j

data_7128533
_publ_section_title
;
 Tunable microstructures of ultralong organic phosphorescence materials.
;
_journal_issue                   59
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              7276
_journal_page_last               7279
_journal_paper_doi               10.1039/d1cc01563j
_journal_volume                  57
_journal_year                    2021
_chemical_formula_sum            'C30 H18 Br2 N2'
_chemical_formula_weight         566.26
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
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_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-05-11 deposited with the CCDC.	2021-06-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.385(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
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_cell_length_c                   15.702(3)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.56
_cell_measurement_theta_min      2.58
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_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_description       hexagonal
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_exptl_crystal_size_mid          0.394
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0675
_refine_ls_R_factor_gt           0.0398
_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^)+(0.0508P)^2^+1.0310P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0989
_refine_ls_wR_factor_ref         0.1120
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2040
_reflns_number_total             2907
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1cc01563j2.cif
_cod_data_source_block           Hexagonal
_cod_depositor_comments
'Adding full bibliography for 7128533--7128535.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7128533
_shelx_shelxl_version_number     2014/7
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