Information card for entry 1543192

Structure parameters

• Chemical name: p-P4A2
• Formula: C28 H20 O2
• Calculated formula: C28 H20 O2
• SMILES: c1c(ccc(C=O)c1)C(=C(c1ccccc1)c1ccccc1)c1ccc(cc1)C=O
• 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: 20.259 Å
• b: 10.585 Å
• c: 9.94 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2131.55 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No