Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime
Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng; Chemical Science 12 (2021) 3580–3586; doi:10.1039/D0SC06025A

data_1560080
_publ_section_title
;
 Fluorine-induced aggregate-interlocking for color-tunable organic
 afterglow with a simultaneously improved efficiency and lifetime
;
_journal_issue                   10
_journal_name_full               'Chemical Science'
_journal_page_first              3580
_journal_page_last               3586
_journal_paper_doi               10.1039/D0SC06025A
_journal_volume                  12
_journal_year                    2021
_chemical_formula_moiety         'C19 H12 F N O'
_chemical_formula_sum            'C19 H12 F N O'
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_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     dual
_audit_creation_date             2018-11-20
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;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-01-06 deposited with the CCDC.	2021-01-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   5.4287(11)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      31.737
_cell_measurement_theta_min      1.746
_cell_volume                     1385.6(5)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      293.57
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  CCD?area?detector
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0670
_diffrn_reflns_av_unetI/netI     0.0685
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_diffrn_reflns_limit_h_max       19
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_diffrn_reflns_limit_k_min       -7
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_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.206
_diffrn_reflns_theta_min         1.566
_exptl_absorpt_coefficient_mu    0.095
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_exptl_crystal_description       needle
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_refine_diff_density_max         0.169
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_refine_ls_matrix_type           full
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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^)+(0.0781P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_gt                1755
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0sc06025a2.cif
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_cod_depositor_comments
'Adding full bibliography for 1560078--1560081.cif.'
_cod_original_cell_volume        1385.5(5)
_cod_database_code               1560080
_shelx_shelxl_version_number     2014/7
_olex2_refinement_description
;
;
_olex2_submission_special_instructions 'No special instructions were received'