Information card for entry 7236919

Structure parameters

• Formula: C19 H12 N2 S
• Calculated formula: C19 H12 N2 S
• Title of publication: Three polymorphs of one luminogen: how the molecular packing affects the RTP and AIE properties?
• Authors of publication: Yang, Jie; Ren, Zichun; Chen, Bin; Fang, Manman; Zhao, Zujin; Tang, Ben Zhong; Peng, Qian; Li, Zhen
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 36
• Pages of publication: 9242
• a: 16.315 ± 0.005 Å
• b: 12.408 ± 0.004 Å
• c: 7.38 ± 0.002 Å
• α: 90°
• β: 94.84 ± 0.005°
• γ: 90°
• Cell volume: 1488.7 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0661
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No