Information card for entry 1515468

Structure parameters

• Formula: C38 H27 N
• Calculated formula: C38 H27 N
• SMILES: n1(c2ccccc2c2ccccc12)c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
• 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: 9.4375 ± 0.0008 Å
• b: 9.5683 ± 0.0007 Å
• c: 15.5001 ± 0.0012 Å
• α: 83.076 ± 0.006°
• β: 81.063 ± 0.007°
• γ: 85.554 ± 0.007°
• Cell volume: 1370.13 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No