Tunable solid state emission of novel V-shaped fluorophores by subtle structure modification: polymorphism, mechanofluoro-chromism and micro-fabrication
Fu, Hong-Yu; Liu, Xiao-Jing; Xia, Min; RSC Adv. 7 (2017) 50720–; doi:10.1039/C7RA10432D

data_7229457
_publ_section_title
;
 Tunable solid state emission of novel V-shaped fluorophores by subtle
 structure modification: polymorphism, mechanofluoro-chromism and
 micro-fabrication
;
_journal_issue                   80
_journal_name_full               'RSC Adv.'
_journal_page_first              50720
_journal_paper_doi               10.1039/C7RA10432D
_journal_volume                  7
_journal_year                    2017
_chemical_formula_moiety         'C21 H18 N2 S'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
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_symmetry_space_group_name_Hall  '-P 2ybc'
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Olex2 1.2
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2017-05-23 deposited with the CCDC.
2017-10-26 downloaded from the CCDC.
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
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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)
(compiled May 16 2011,17:55:39)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
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_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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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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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C9(H9), C10(H10), C11(H11), C12(H12),
 C15(H15), C16(H16), C18(H18), C19(H19)
2.b Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C21(H21A,H21B,H21C)
;
_shelx_res_checksum              10339
_olex2_submission_special_instructions 'No special instructions were received'