Information card for entry 8105787

Structure parameters

• Formula: C10 H10 O4
• Calculated formula: C10 H10 O4
• Title of publication: Crystal structure of methyl 4-acetoxybenzoate, C10H10O4
• Authors of publication: Li-Min, Fang; Jian-Ping, Huang; Jian-Cheng, Dai; Xu-Liang, Nie; Chang-Xiang, Liu; Nian-Qian, Kang; Lin, Huang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 3
• Pages of publication: 585 - 586
• a: 25.4 ± 0.004 Å
• b: 5.9738 ± 0.001 Å
• c: 12.746 ± 0.002 Å
• α: 90°
• β: 94.318 ± 0.002°
• γ: 90°
• Cell volume: 1928.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No