Smartly designed AIE triazoliums as unique targeting fluorescence tags for sulfonic biomacromolecule recognition via ‘electrostatic locking’
Kang, Qing; Xiao, Yin; Hu, Wenping; Wang, Yong; Journal of Materials Chemistry C 6 (2018) 12529–; doi:10.1039/C8TC04425B

data_7237517
_publ_section_title
;
 Smartly designed AIE triazoliums as unique targeting fluorescence tags
 for sulfonic biomacromolecule recognition via &#x2018;electrostatic
 locking&#x2019;
;
_journal_issue                   46
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              12529
_journal_paper_doi               10.1039/C8TC04425B
_journal_volume                  6
_journal_year                    2018
_chemical_formula_sum            'C37 H32 B F4 N3'
_chemical_formula_weight         605.46
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_audit_update_record
;
2018-06-02 deposited with the CCDC.
2018-10-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
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_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
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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-2014/8 (Sheldrick 2014'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0996P)^2^+1.0480P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1805
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_reflns_number_gt                4376
_reflns_number_total             5739
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8tc04425b2.cif
_cod_data_source_block           R20180330C1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/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 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        3252.0(12)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7237517
_shelx_shelxl_version_number     2014/8
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_shelx_estimated_absorpt_t_max   0.989
_shelx_res_checksum              21371
_shelx_hkl_checksum              73715