Position- and region-isomerized derivatives of a V-shaped fluorophore: the unique solution-state dual emission and the unusual force-induced solid-state turn-on emission.
Fu, Hong-Yu; Liu, Xiao-Jing; Zha, Hao; Li, Xiao-Xue; Xu, Yi; Yang, Fan; Xia, Min; Physical chemistry chemical physics : PCCP 21 (2019) 1399–1407; doi:10.1039/c8cp06613b

data_7232004
_publ_section_title
;
 Position- and region-isomerized derivatives of a V-shaped fluorophore:
 the unique solution-state dual emission and the unusual force-induced
 solid-state turn-on emission.
;
_journal_issue                   3
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              1399
_journal_page_last               1407
_journal_paper_doi               10.1039/c8cp06613b
_journal_volume                  21
_journal_year                    2019
_chemical_formula_moiety         'C21 H18 N2 S'
_chemical_formula_sum            'C21 H18 N2 S'
_chemical_formula_weight         330.43
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
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_audit_block_doi                 10.5517/ccdc.csd.cc1p2ms5
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Olex2 1.2
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2017-05-23 deposited with the CCDC.
2018-12-13 downloaded from the CCDC.
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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  1 omega  -86.00   21.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
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  2 omega   -8.00   74.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -       11.9371   38.0000   30.0000 82
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_diffrn_radiation_monochromator  graphite
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            colourless
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'w=1/[\s^2^(Fo^2^)+(0.0648P)^2^+0.4976P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 7232004--7232008.cif.'
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
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 C15(H15), C16(H16), C18(H18), C19(H19)
2.b Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C21(H21A,H21B,H21C)
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