Information card for entry 8104668

Structure parameters

• Formula: C18 H17 N O3
• Calculated formula: C18 H17 N O3
• Title of publication: Crystal structure of (E)-7-methoxy-2-((6-methoxypyridin-3-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, C18H17NO3
• Authors of publication: Wang, Lei; Meng, Qing-Guo; Jiang, Nan; Wei, Lin; Wang, Chun-Hua
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 1069 - 1071
• a: 14.702 ± 0.003 Å
• b: 7.0421 ± 0.0011 Å
• c: 15.303 ± 0.003 Å
• α: 90°
• β: 113.32 ± 0.02°
• γ: 90°
• Cell volume: 1454.9 ± 0.5 ų
• Cell temperature: 100.03 ± 0.18 K
• Ambient diffraction temperature: 100.03 ± 0.18 K
• Number of distinct elements: 4
• 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: 0.0651
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No