Information card for entry 8104641

Structure parameters

• Formula: C15 H14 N2 O
• Calculated formula: C15 H14 N2 O
• Title of publication: Crystal structure of 6-oxo-4-phenyl-1-propyl-1,6-dihydropyridine-3-carbonitrile, C15H14N2O
• Authors of publication: Shi, Bei-Chen; Chen, Hao-Dong; Zhu, Xian-Dui; Zhang, Meng-Meng; Zhang, Zhi-Fei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 977 - 978
• a: 7.651 ± 0.0015 Å
• b: 11.465 ± 0.002 Å
• c: 14.526 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1274.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No