Information card for entry 4002030

Structure parameters

• Formula: C42 H28
• Calculated formula: C42 H28
• SMILES: c1(c2ccccc2cc2ccccc12)C(=C(c1ccccc1)c1ccccc1)c1c2ccccc2cc2ccccc12
• Title of publication: General Synthetic Approach toward Geminal-Substituted Tetraarylethene Fluorophores with Tunable Emission Properties: X-ray Crystallography, Aggregation-Induced Emission and Piezofluorochromism
• Authors of publication: Zhang, Guo-Feng; Wang, Hongfeng; Aldred, Matthew P.; Chen, Tao; Chen, Ze-Qiang; Meng, Xianggao; Zhu, Ming-Qiang
• Journal of publication: Chemistry of Materials
• Year of publication: 2014
• Journal volume: 26
• Journal issue: 15
• Pages of publication: 4433
• a: 9.7985 ± 0.0014 Å
• b: 11.7195 ± 0.0017 Å
• c: 13.649 ± 0.002 Å
• α: 87.418 ± 0.002°
• β: 69.712 ± 0.002°
• γ: 79.112 ± 0.002°
• Cell volume: 1443.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No