Information card for entry 7234135

Structure parameters

• Formula: C28 H21 N O
• Calculated formula: C28 H21 N O
• SMILES: O(c1ccc(cc1)c1ccc(C(=C(c2ccccc2)c2ccccc2)C#N)cc1)C
• Title of publication: Polymorphic crystals and their luminescence switching of triphenylacrylonitrile derivatives upon solvent vapour, mechanical, and thermal stimuli
• Authors of publication: Yujian Zhang; Qingbao Song; Kai Wang; Wengang Mao; Feng Cao; Jingwei Sun; Lingling Zhan; Yaokang Lv; Yuguang Ma; Bo Zou; Cheng Zhang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 3049 - 3054
• a: 11.0759 ± 0.0007 Å
• b: 29.6119 ± 0.0013 Å
• c: 7.7409 ± 0.0004 Å
• α: 90°
• β: 122.9 ± 0.005°
• γ: 90°
• Cell volume: 2131.7 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No