Information card for entry 7236921

Structure parameters

• Formula: C19 H12 N2 O 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: 12.3262 ± 0.0017 Å
• b: 12.5229 ± 0.0018 Å
• c: 9.8675 ± 0.0014 Å
• α: 90°
• β: 107.314 ± 0.002°
• γ: 90°
• Cell volume: 1454.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0521
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No