Information card for entry 4109991

Structure parameters

• Formula: C26 H24 Cl2 N2
• Calculated formula: C26 H24 Cl2 N2
• SMILES: [Cl-].[Cl-].[nH+]1ccc([C@H]2[C@H]([C@@H]([C@@H]2c2ccccc2)c2ccccc2)c2cc[nH+]cc2)cc1
• 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: 14.3478 ± 0.0003 Å
• b: 9.3575 ± 0.0002 Å
• c: 16.7753 ± 0.0004 Å
• α: 90°
• β: 90.5394 ± 0.0013°
• γ: 90°
• Cell volume: 2252.14 ± 0.09 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.2454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No