Information card for entry 4109988

Structure parameters

• Formula: C13 H11 N
• Calculated formula: C13 H11 N
• SMILES: n1ccc(cc1)/C=C/c1ccccc1
• Title of publication: Role of Cation-π Interactions in the Photodimerization of trans-4-Styrylpyridines
• Authors of publication: Shinji Yamada; Naoko Uematsu; Kaori Yamashita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 12100 - 12101
• a: 11.261 ± 0.003 Å
• b: 7.6685 ± 0.0013 Å
• c: 5.8855 ± 0.0012 Å
• α: 90°
• β: 92.597 ± 0.018°
• γ: 90°
• Cell volume: 507.72 ± 0.19 ų
• Cell temperature: 298.1 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 a 1
• Hall space group symbol: P -2ya
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No