Information card for entry 1514934

Structure parameters

• Formula: C28 H24
• Calculated formula: C28 H24
• SMILES: Cc1ccc(cc1)/C(=C(\c1ccc(cc1)C)c1ccccc1)c1ccccc1
• Title of publication: Deciphering mechanism of aggregation-induced emission (AIE): Is E‒Z isomerisation involved in an AIE process?
• Authors of publication: Tseng, Nai-Wen; Liu, Jianzhao; Ng, Jason C. Y.; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 493
• a: 29.9106 ± 0.0003 Å
• b: 29.9106 ± 0.0003 Å
• c: 5.9714 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4626.55 ± 0.1 ų
• Cell temperature: 143.3 K
• Ambient diffraction temperature: 143 K
• Number of distinct elements: 2
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No