Information card for entry 7108498

Structure parameters

• Formula: C26 H18 O
• Calculated formula: C26 H18 O
• SMILES: O1c2ccccc2C(=C(c2ccccc2)c2ccccc2)c2ccccc12
• Title of publication: Locking the phenyl rings of tetraphenylethene step by step: understanding the mechanism of aggregation-induced emission
• Authors of publication: Junqing Shi; Ning Chang; Cuihong Li; Ju Mei; Chunmei Deng; Xiaoliang Luo; Zhengping Liu; Zhishan Bo; Yong Qiang Dong; Ben Zhong Tang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10675
• a: 11.9746 ± 0.0015 Å
• b: 9.4799 ± 0.0012 Å
• c: 19.8636 ± 0.0019 Å
• α: 90°
• β: 125.669 ± 0.005°
• γ: 90°
• Cell volume: 1831.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0649
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No