Information card for entry 8104656

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-2-yl)methylene)-tetralone, C18H17NO3
• Authors of publication: Wang, Lei; Meng, Qing-Guo; Hou, Gui-Ge
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 1023 - 1025
• a: 4.0929 ± 0.0004 Å
• b: 12.9527 ± 0.0011 Å
• c: 14.4228 ± 0.0012 Å
• α: 70.171 ± 0.008°
• β: 87.229 ± 0.008°
• γ: 87.567 ± 0.008°
• Cell volume: 718.16 ± 0.12 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: 0.0673
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No