A stimuli responsive two component supramolecular hydrogelator with aggregation-induced emission properties.
Aschmann, Dennis; Riebe, Steffen; Neumann, Thorben; Killa, Dennis; Ostwaldt, Jan-Erik; Wölper, Christoph; Schmuck, Carsten; Voskuhl, Jens; Soft matter 15 (2019) 7117–7121; doi:10.1039/c9sm01513b

data_1552282
_publ_section_title
;
 A stimuli responsive two component supramolecular hydrogelator with
 aggregation-induced emission properties.
;
_journal_issue                   36
_journal_name_full               'Soft matter'
_journal_page_first              7117
_journal_page_last               7121
_journal_paper_doi               10.1039/c9sm01513b
_journal_volume                  15
_journal_year                    2019
_chemical_formula_sum            'C24 H18 N8 O2 S2'
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_audit_update_record
;
2019-05-15 deposited with the CCDC.    2019-09-03 downloaded from the CCDC.
;
_cell_angle_alpha                93.055(5)
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_computing_data_reduction        'BRUKER APEX2(v2009.5-1)'
_computing_molecular_graphics    'ORTEP/PLATON (Spek)'
_computing_publication_material  'BRUKER AXS SHELXTL (c) 2008 / Vers. 2008/4'
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_diffrn_measured_fraction_theta_max 0.907
_diffrn_measurement_device_type  'Bruker D8 KAPPA II (APEX II detector)'
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_exptl_absorpt_process_details
; 
 SADABS
 R.H. Blessing, Acta Cryst. (1995) A51 33-38 
;
_exptl_crystal_colour            colourless
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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^)+(0.0279P)^2^+1.7117P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1082
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                4449
_reflns_number_total             6671
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_secondary' value 'diffmap' was changed to
'difmap'.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 1552282.cif.
;
_cod_database_code               1552282
_shelx_shelxl_version_number     2017/1
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_shelx_estimated_absorpt_t_max   0.981
_shelx_res_checksum              41069