Information card for entry 1543189

Structure parameters

• Chemical name: m-P4A
• Formula: C27 H20 O
• Calculated formula: C27 H20 O
• SMILES: c1(cc(ccc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1)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: 10.298 Å
• b: 9.153 Å
• c: 10.795 Å
• α: 90°
• β: 104.69°
• γ: 90°
• Cell volume: 984.25 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No