Information card for entry 2108480

Structure parameters

• Formula: C26 H20 Cl N3 O
• Calculated formula: C26 H20 Cl N3 O
• SMILES: Clc1ccc(C(=O)N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
• Title of publication: Solvatochromism and mechanochromism observed in a triphenylamine derivative
• Authors of publication: Guo, Chunyang; Zhang, Qi; Zhu, Bingqing; Zhu, Bin; Zhou, Weiqun; Ren, Guobin; Mei, Xuefeng
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 5
• a: 15.6975 ± 0.0007 Å
• b: 23.7324 ± 0.0011 Å
• c: 12.0002 ± 0.0004 Å
• α: 90°
• β: 102.451 ± 0.002°
• γ: 90°
• Cell volume: 4365.4 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• 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: 0.0886
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes