Information card for entry 8104840

Structure parameters

• Formula: C18 H17 N O3
• Calculated formula: C18 H17 N O3
• Title of publication: Crystal structure of (E)-7-methoxy-2-((5-methoxypyridin-3-yl)methylene)-3,4- dihydronaphthalen-1(2H)-one, C18H17NO3
• Authors of publication: Luan, Ming-Zhu; Meng, Qing-Guo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 2
• Pages of publication: 387 - 389
• a: 7.395 ± 0.0005 Å
• b: 8.6697 ± 0.0005 Å
• c: 11.6813 ± 0.0009 Å
• α: 85.457 ± 0.006°
• β: 76.712 ± 0.006°
• γ: 82.759 ± 0.005°
• Cell volume: 722.07 ± 0.09 ų
• Cell temperature: 99.9 ± 0.3 K
• Ambient diffraction temperature: 99.9 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No