Information card for entry 7108499

Structure parameters

• Formula: C26 H16 O2
• Calculated formula: C26 H16 O2
• SMILES: c12ccccc2C(=C2c3c(cccc3)Oc3c2cccc3)c2ccccc2O1
• 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: 14.685 ± 0.004 Å
• b: 12.803 ± 0.004 Å
• c: 9.354 ± 0.003 Å
• α: 90°
• β: 95.08 ± 0.005°
• γ: 90°
• Cell volume: 1751.8 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No