Information card for entry 8107692

Structure parameters

• Formula: C12 H15 N O3
• Calculated formula: C12 H15 N O3
• Title of publication: Crystal structure of (3-hydroxy-4-methoxyphenyl)(pyrrolidin-1-yl)methanone, C12H15NO3
• Authors of publication: Xu, Xiaona; Tong, Hongjuan; Zhu, Zhoujing; Liu, Bin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 6
• Pages of publication: 1169 - 1170
• a: 6.723 ± 0.0002 Å
• b: 11.1182 ± 0.0003 Å
• c: 14.4996 ± 0.0005 Å
• α: 90°
• β: 94.887 ± 0.001°
• γ: 90°
• Cell volume: 1079.87 ± 0.06 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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 all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No