Information card for entry 7237937

Structure parameters

• Formula: C19 H13 Br2 N O
• Calculated formula: C19 H13 Br2 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: 9.244 ± 0.004 Å
• b: 8.389 ± 0.004 Å
• c: 11.306 ± 0.005 Å
• α: 90°
• β: 107.57 ± 0.008°
• γ: 90°
• Cell volume: 835.9 ± 0.7 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: 0.1002
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No