Information card for entry 4002028

Structure parameters

• Formula: C34 H24
• Calculated formula: C34 H24
• SMILES: c1(cc2ccccc2cc1)C(=C(c1ccccc1)c1ccccc1)c1cc2ccccc2cc1
• 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: 41.199 ± 0.004 Å
• b: 41.199 ± 0.004 Å
• c: 5.776 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9803.9 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 2
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1109
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No