Information card for entry 7234126

Structure parameters

• Formula: C35 H26 N2 S
• Calculated formula: C35 H26 N2 S
• SMILES: S1c2cc(ccc2N(CC)c2ccccc12)c1ccc(C(=C(c2ccccc2)c2ccccc2)C#N)cc1
• Title of publication: Phenothiazine modified triphenylacrylonitrile derivates: AIE and mechanochromism tuned by molecular conformation
• Authors of publication: Gonghe Zhang; Jingbo Sun; Pengchong Xue; Zhenqi Zhang; Peng Gong; Jiang Peng; Ran Lu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 2925 - 2932
• a: 9.8704 ± 0.001 Å
• b: 9.8969 ± 0.0012 Å
• c: 15.68 ± 0.0012 Å
• α: 90.723 ± 0.008°
• β: 104.683 ± 0.008°
• γ: 116.975 ± 0.011°
• Cell volume: 1306 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No