Information card for entry 8105718

Structure parameters

• Formula: C10 H10 O4
• Calculated formula: C10 H10 O4
• SMILES: c12ccc(cc1C(=O)OC(C)(C)O2)O
• Title of publication: Crystal structure of 6-hydroxy-2,2-dimethyl-4Hbenzo[d][1,3]dioxin-4-one, C10H10O4
• Authors of publication: Tang, Wenqiang; Xu, Xiaona; Gao, Yanrong; Tong, Hongjuan; Zhu, Zhoujing; Liu, Bin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 3
• Pages of publication: 441 - 443
• a: 9.464 ± 0.006 Å
• b: 10.302 ± 0.007 Å
• c: 10.589 ± 0.007 Å
• α: 90°
• β: 114.174 ± 0.011°
• γ: 90°
• Cell volume: 941.9 ± 1.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No