Interrogating the nature of aggregates formed in a model azine based ESIPT coupled AIE active probe: stark differences in photodynamics in the solid state and aggregates in water.
Bhattacharyya, Arghyadeep; Das, Akash; Guchhait, Nikhil; Physical chemistry chemical physics : PCCP 25 (2023) 31702–31713; doi:10.1039/d3cp03603k

data_7247675
_publ_section_title
;
 Interrogating the nature of aggregates formed in a model azine based
 ESIPT coupled AIE active probe: stark differences in photodynamics in the
 solid state and aggregates in water.
;
_journal_issue                   46
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              31702
_journal_page_last               31713
_journal_paper_doi               10.1039/d3cp03603k
_journal_volume                  25
_journal_year                    2023
_chemical_formula_moiety         C19H15BrN2O
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_chemical_name_systematic
4-bromo-2-((E)-((Z)-(1-(naphthalen-2-yl)ethylidene)hydrazono)methyl)phenol
_space_group_crystal_system      monoclinic
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_audit_update_record
;
2023-08-28 deposited with the CCDC.	2023-10-27 downloaded from the CCDC.
;
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_computing_cell_refinement       'Bruker SAINT'
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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-2016/6 (Sheldrick 2016)'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0390P)^2^+0.8088P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0727
_refine_ls_wR_factor_ref         0.0758
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1339
_reflns_number_total             1556
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           BNHMP
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'EMPIRICAL' was
changed to 'empirical' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7247675.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7247675
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_shelx_res_checksum              73727