Information card for entry 1547281

Structure parameters

• Formula: C13 H10 Cl N O
• Calculated formula: C13 H10 Cl N O
• SMILES: Clc1ccc(N)c(c1)C(=O)c1ccccc1
• Title of publication: Mechanoresponsive Fluorescence of 2-Aminobenzophenone Derivatives Based on Amorphous Phase to Crystalline Transformation with High “Off‒On” Contrast Ratio
• Authors of publication: Zheng, Xiaokun; Zheng, Yue; Peng, Lu; Xiang, Yu; Tong, Aijun
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2017
• Journal volume: 121
• Journal issue: 39
• Pages of publication: 21610
• a: 4.7737 ± 0.0002 Å
• b: 9.4733 ± 0.0006 Å
• c: 24.6076 ± 0.0012 Å
• α: 90°
• β: 97.36 ± 0.003°
• γ: 90°
• Cell volume: 1103.65 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No