Self-reversible mechanofluorochromic AIEgens with tunable solid-state fluorescence: effect of acceptors and intermolecular interactions
Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip; CrystEngComm 26 (2024) 5241–5248; doi:10.1039/D4CE00729H

data_7249233
_publ_section_title
;
 Self-reversible mechanofluorochromic AIEgens with tunable solid-state
 fluorescence: effect of acceptors and intermolecular interactions
;
_journal_issue                   37
_journal_name_full               CrystEngComm
_journal_page_first              5241
_journal_page_last               5248
_journal_paper_doi               10.1039/D4CE00729H
_journal_volume                  26
_journal_year                    2024
_chemical_formula_moiety         'C23 H17 N3 O2'
_chemical_formula_sum            'C23 H17 N3 O2'
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_audit_update_record
;
2024-07-18 deposited with the CCDC.	2024-08-21 downloaded from the CCDC.
;
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'<i>PAL BL2D-SMDC Program</i>(Shin et.al, 2016)'
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_computing_molecular_graphics    '<i>DIAMOND 4</i>(Putx&Brandenburg, 2014)'
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_diffrn_measurement_device_type  'Rayonix MX225HS CCD area detector'
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'<i>HKL3000sm Scalepack</i>(Otwinowski et.al,2003)'
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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-2019/2 (Sheldrick 2019)'
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     508
_refine_ls_number_reflns         11512
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.916
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1362P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2089
_refine_ls_wR_factor_ref         0.2533
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4584
_reflns_number_total             11512
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7249231--7249233.cif.'
_cod_database_code               7249233
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_min   0.998
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_shelx_hkl_checksum              32297
_shelx_fab_checksum              13999