Information card for entry 7218565

Structure parameters

• Formula: C12 H7 N O2 S2
• Calculated formula: C12 H7 N O2 S2
• SMILES: s1c(C2=C(C(=O)NC2=O)c2sccc2)ccc1
• Title of publication: Polymorphism-dependent fluorescence of bisthienylmaleimide with different responses to mechanical crushing and grinding pressure
• Authors of publication: Lin, Zhenghuan; Mei, Xiaofei; Yang, E.; Li, Xiaoju; Yao, Huimei; Wen, Guixiu; Chien, Ching-Ting; Chow, Tahsin J.; Ling, Qidan
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 48
• Pages of publication: 11018
• a: 10.331 ± 0.004 Å
• b: 7.626 ± 0.003 Å
• c: 28.392 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2236.8 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.254
• Weighted residual factors for all reflections included in the refinement: 0.2621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No