Aggregation-induced emission leading to two distinct emissive species in the solid-state structure of high-dipole organic chromophores
Witte, Felix; Rietsch, Philipp; Nirmalananthan-Budau, Nithiya; Weigert, Florian; Götze, Jan Phillip; Resch-Genger, Ute; Eigler, Siegfried; Paulus, Beate; Physical Chemistry Chemical Physics  (2021) –; doi:10.1039/D1CP02534A

data_7243264
_publ_section_title
;
 Aggregation-induced emission leading to two distinct emissive species in
 the solid-state structure of high-dipole organic chromophores
;
_journal_name_full               'Physical Chemistry Chemical Physics'
_journal_paper_doi               10.1039/D1CP02534A
_journal_year                    2021
_chemical_formula_sum            'C30 H26 N4 O4'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2020-12-17 deposited with the CCDC.	2021-07-22 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker Photon CMOS Detector, D8 Venture'
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_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.683
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_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.243
_exptl_crystal_description       needle
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_refine_ls_R_factor_all          0.0678
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_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^)+(0.0443P)^2^+0.9403P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                3725
_reflns_number_total             4780
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1cp02534a3.cif
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_shelx_estimated_absorpt_t_min   0.806
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_shelx_res_checksum              69644
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_shelx_fab_checksum              94015