Information card for entry 1515464

Structure parameters

• Formula: C42 H28
• Calculated formula: C42 H28
• SMILES: c1(ccc(cc1)c1c2ccc3c4c2c(cc1)ccc4ccc3)C(=C(c1ccccc1)c1ccccc1)c1ccccc1
• 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: 16.7865 ± 0.0017 Å
• b: 9.2933 ± 0.0006 Å
• c: 36.414 ± 0.005 Å
• α: 90°
• β: 91.02 ± 0.012°
• γ: 90°
• Cell volume: 5679.8 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1435
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No