Information card for entry 2004640

Structure parameters

• Chemical name: 1,4-diacetyl-1,4-dihydro-4-phenylpyridine
• Formula: C15 H15 N O2
• Calculated formula: C15 H15 N O2
• SMILES: O=C(C1(C=CN(C=C1)C(=O)C)c1ccccc1)C
• Title of publication: The Zinc‒Acetic Anhydride Reduction of Pyridines
• Authors of publication: Beddoes, R. L.; Arshad, N.; Joule, J. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 654 - 656
• a: 6.1621 ± 0.0009 Å
• b: 15.731 ± 0.004 Å
• c: 13.708 ± 0.004 Å
• α: 90°
• β: 102.07 ± 0.02°
• γ: 90°
• Cell volume: 1299.4 ± 0.5 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.083
• Goodness-of-fit parameter for significantly intense reflections: 2.32
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No