Information card for entry 7229457

Structure parameters

• Formula: C21 H18 N2 S
• Calculated formula: C21 H18 N2 S
• SMILES: s1c2ccccc2nc1c1ccccc1c1ccc(N(C)C)cc1
• Title of publication: Tunable solid state emission of novel V-shaped fluorophores by subtle structure modification: polymorphism, mechanofluoro-chromism and micro-fabrication
• Authors of publication: Fu, Hong-Yu; Liu, Xiao-Jing; Xia, Min
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 80
• Pages of publication: 50720
• a: 6.1982 ± 0.0005 Å
• b: 24.956 ± 0.002 Å
• c: 10.855 ± 0.0009 Å
• α: 90°
• β: 97.234 ± 0.008°
• γ: 90°
• Cell volume: 1665.7 ± 0.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No