Information card for entry 1515466

Structure parameters

• Formula: C40 H28
• Calculated formula: C40 H28
• SMILES: c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccc(cc1)c1cc2ccccc2c2c1cccc2
• Title of publication: Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity
• Authors of publication: Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 672
• a: 17.2911 ± 0.001 Å
• b: 9.0613 ± 0.0005 Å
• c: 18.1015 ± 0.001 Å
• α: 90°
• β: 94.72 ± 0.006°
• γ: 90°
• Cell volume: 2826.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1703
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No