Information card for entry 1543193

Structure parameters

• Chemical name: p-P4Ac
• Formula: C28 H22 O
• Calculated formula: C28 H22 O
• SMILES: O=C(c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)C
• Title of publication: Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design
• Authors of publication: Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 5307
• a: 9.075 Å
• b: 11.785 Å
• c: 19.801 Å
• α: 81.99°
• β: 81.95°
• γ: 89.78°
• Cell volume: 2076.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No