Information card for entry 7224820

Structure parameters

• Chemical name: (E)-2-(4-(2-(9-octyl-9H-carbazol-3-yl)vinyl)phenyl)-3,3-diphenylacrylonitrile
• Formula: C43 H40 N2
• Calculated formula: C43 H40 N2
• SMILES: n1(CCCCCCCC)c2ccccc2c2cc(/C=C/c3ccc(C(=C(c4ccccc4)c4ccccc4)C#N)cc3)ccc12
• Title of publication: Aggregation-induced emission and reversible mechanochromic luminescence of carbazole-based triphenylacrylonitrile derivatives
• Authors of publication: Zhan, Yong; Gong, Peng; Yang, Peng; Jin, Zhe; Bao, Ying; Li, Ying; Xu, Yongnan
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 39
• Pages of publication: 32697
• a: 12.038 ± 0.0006 Å
• b: 14.1246 ± 0.0007 Å
• c: 20.2492 ± 0.001 Å
• α: 90°
• β: 99.247 ± 0.001°
• γ: 90°
• Cell volume: 3398.3 ± 0.3 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 2 K
• Number of distinct elements: 3
• 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: 0.0936
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No