Information card for entry 8107694

Structure parameters

• Formula: C44 H52 N4 O12
• Calculated formula: C44 H52 N4 O12
• Title of publication: Crystal structure of N-cyclopropyl-3-hydroxy-4-methoxybenzamide, C11H13NO3
• Authors of publication: Tong, Hongjuan; Xu, Xiaona; 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: 1175 - 1176
• a: 8.0478 ± 0.0003 Å
• b: 9.8093 ± 0.0004 Å
• c: 13.1602 ± 0.0005 Å
• α: 90°
• β: 104.712 ± 0.002°
• γ: 90°
• Cell volume: 1004.85 ± 0.07 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No