Information card for entry 4025057

Structure parameters

• Formula: C18 H17 N3
• Calculated formula: C18 H17 N3
• SMILES: Cc1ccc(c2ccc(cn2)/C=C/c2cccn2C)nc1
• Title of publication: Fluorescence of 5-Arylvinyl-5'-Methyl-2,2'-Bipyridyl Ligands and Their Zinc Complexes
• Authors of publication: Ali H. Younes; Lu Zhang; Ronald J. Clark; Lei Zhu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 8761 - 8772
• a: 7.3834 ± 0.0008 Å
• b: 22.903 ± 0.003 Å
• c: 8.4719 ± 0.0009 Å
• α: 90°
• β: 90.116 ± 0.002°
• γ: 90°
• Cell volume: 1432.6 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No