Information card for entry 1547282

Structure parameters

• Formula: C13 H11 N O
• Calculated formula: C13 H11 N O
• SMILES: O=C(c1c(N)cccc1)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: 10.1846 ± 0.0004 Å
• b: 10.9622 ± 0.0004 Å
• c: 8.9314 ± 0.0003 Å
• α: 90°
• β: 99.716 ± 0.004°
• γ: 90°
• Cell volume: 982.85 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0598
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No