Information card for entry 2204707

Structure parameters

• Chemical name: 1-(2,6-Dihydroxyphenyl)ethanone
• Formula: C8 H8 O3
• Calculated formula: C8 H8 O3
• SMILES: c1(c(cccc1O)O)C(=O)C
• Title of publication: 1-(2,6-Dihydroxyphenyl)ethanone
• Authors of publication: Hua-Rong Huang; Xue-Kui Xia; Zhi-Gang She; Yong-Cheng Lin; L. L. P. Vrijmoed; E. B. Gareth Jones
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2509 - o2510
• a: 7.646 ± 0.003 Å
• b: 8.325 ± 0.003 Å
• c: 12.803 ± 0.005 Å
• α: 73.321 ± 0.006°
• β: 79.042 ± 0.007°
• γ: 68.23 ± 0.006°
• Cell volume: 721.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes