Information card for entry 2226457

Structure parameters

• Chemical name: 3-(6-Methoxy-2-naphthyl)-1-(2-pyridyl)prop-2-en-1-one
• Formula: C19 H15 N O2
• Calculated formula: C19 H15 N O2
• SMILES: COc1ccc2c(c1)ccc(c2)/C=C/C(=O)c1ccccn1
• Title of publication: 3-(6-Methoxy-2-naphthyl)-1-(2-pyridyl)prop-2-en-1-one
• Authors of publication: Li, Xiang-biao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1613
• a: 7.856 ± 0.0016 Å
• b: 11.542 ± 0.002 Å
• c: 32.353 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2933.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.16
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes