Information card for entry 7055753

Structure parameters

• Formula: C27 H25 N3
• Calculated formula: C27 H25 N3
• SMILES: c1(ccccc1)N(c1ccccc1)c1ccc(cc1)/C=N/c1ccc(cc1)N(C)C
• Title of publication: Branching effect for aggregation-induced emission in fluorophores containing imine and triphenylamine structures
• Authors of publication: Li, Chunchun; Yang, Wen; Zhou, Weiqun; Zhang, Mengmeng; Xue, Renyu; Li, Mengying; Cheng, Zhongqin
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 8837
• a: 7.6197 ± 0.0018 Å
• b: 18.829 ± 0.005 Å
• c: 15.36 ± 0.004 Å
• α: 90°
• β: 90.93 ± 0.02°
• γ: 90°
• Cell volume: 2203.4 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1489
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No