Information card for entry 1515465

Structure parameters

• Formula: C40 H28
• Calculated formula: C40 H28
• SMILES: c1(ccc(cc1)c1c2ccccc2cc2ccccc12)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: 9.485 ± 0.0008 Å
• b: 9.683 ± 0.0009 Å
• c: 15.5796 ± 0.0014 Å
• α: 79.592 ± 0.008°
• β: 83.901 ± 0.007°
• γ: 85.662 ± 0.007°
• Cell volume: 1397 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No