Information card for entry 8104566

Structure parameters

• Chemical name: methyl 4-acetoxy-3-methoxybenzoate
• Formula: C11 H12 O5
• Calculated formula: C11 H12 O5
• Title of publication: Crystal structure of methyl 4-acetoxy-3-methoxybenzoate, C11H12O5
• Authors of publication: Xiao, Pan-Lei; Song, Xiu-Ying; Yang, Chen-Yu; Nie, Xu-Liang; Wang, Yi-Hua
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 6
• Pages of publication: 1203 - 1205
• a: 5.5523 ± 0.0007 Å
• b: 12.761 ± 0.0017 Å
• c: 15.374 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1089.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No