Information card for entry 7237936

Structure parameters

• Formula: C19 H13 Cl2 N O
• Calculated formula: C19 H13 Cl2 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: 9.117 ± 0.004 Å
• b: 8.4 ± 0.003 Å
• c: 11.068 ± 0.004 Å
• α: 90°
• β: 107.736 ± 0.007°
• γ: 90°
• Cell volume: 807.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No