Information card for entry 7237935

Structure parameters

• Formula: C19 H15 N O
• Calculated formula: C19 H15 N O
• Title of publication: Halogen-substituted triphenylamine derivatives with intense mechanoluminescence properties
• Authors of publication: Tu, Jin; Fan, Yunhao; Wang, Jiaqiang; Li, Xiaoyu; Liu, Fan; Han, Mengmeng; Wang, Can; Li, Qianqian; Li, Zhen
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 39
• Pages of publication: 12256
• a: 12.0916 ± 0.0017 Å
• b: 11.4255 ± 0.0016 Å
• c: 10.9413 ± 0.0016 Å
• α: 90°
• β: 101.999 ± 0.003°
• γ: 90°
• Cell volume: 1478.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0594
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No