Information card for entry 1515469

Structure parameters

• Formula: C35 H25 N
• Calculated formula: C35 H25 N
• SMILES: n1c(c2ccc(cc2)C(=C(c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2cc1
• 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: 9.3196 ± 0.0005 Å
• b: 9.3671 ± 0.0005 Å
• c: 14.8298 ± 0.0008 Å
• α: 88.746 ± 0.004°
• β: 86.17 ± 0.004°
• γ: 75.274 ± 0.004°
• Cell volume: 1249.27 ± 0.12 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: 0.0637
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No