Information card for entry 7053898

Structure parameters

• Formula: C27 H19 N3 O2
• Calculated formula: C27 H19 N3 O2
• SMILES: N(c1ccccc1)(c1ccc(/C=C(/c2ccc(N(=O)=O)cc2)C#N)cc1)c1ccccc1
• Title of publication: Aggregation-induced emission of triphenylamine substituted cyanostyrene derivatives
• Authors of publication: Zhao, Xin; Xue, Pengchong; Wang, Kai; Chen, Peng; Zhang, Peng; Lu, Ran
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 3
• Pages of publication: 1045
• a: 11.154 ± 0.002 Å
• b: 7.5463 ± 0.0015 Å
• c: 25.707 ± 0.005 Å
• α: 90°
• β: 96.42 ± 0.03°
• γ: 90°
• Cell volume: 2150.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.1153
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No