Information card for entry 1515335

Structure parameters

• Formula: C30 H20
• Calculated formula: C30 H20
• SMILES: C(=C(\c1ccc(cc1)C#C)c1ccccc1)(\c1ccc(cc1)C#C)c1ccccc1
• Title of publication: Hyperbranched conjugated poly(tetraphenylethene): synthesis, aggregation-induced emission, fluorescent photopatterning, optical limiting and explosive detection
• Authors of publication: Hu, Rongrong; Lam, Jacky W. Y.; Liu, Jianzhao; Sung, Herman H. Y.; Williams, Ian D.; Yue, Zhounan; Wong, Kam Sing; Yuen, Matthew M. F.; Tang, Ben Zhong
• Journal of publication: Polymer Chemistry
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 1481
• a: 9.3233 ± 0.0001 Å
• b: 14.8844 ± 0.0002 Å
• c: 15.9251 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2209.95 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No