Information card for entry 8104770

Structure parameters

• Chemical name: methyl 4-acetoxy-3,5-dimethoxybenzoate
• Formula: C12 H14 O6
• Calculated formula: C12 H14 O6
• Title of publication: Crystal structure of methyl 4-acetoxy-3,5-dimethoxybenzoate, C12H14O6
• Authors of publication: Xiong, Chun-Lan; Lan, Ying-Dong; Song, Xiu-Ying; Xiong, Wan-Ming; Nie, Xu-Liang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 3
• Pages of publication: 573 - 575
• a: 18.0207 ± 0.0013 Å
• b: 7.6885 ± 0.0005 Å
• c: 18.2326 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2526.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1214
• 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