Information card for entry 2005812

Structure parameters

• Formula: C12 H20 O4
• Calculated formula: C12 H20 O4
• SMILES: O[C@H]1CC([C@@](O)([C@H](C1)C)/C=C/C(=O)O)(C)C
• Title of publication: Glycoric Acid, a New Degraded Carotenoid from <i>Glycosmis arborea</i>
• Authors of publication: Kiyotani, T.; Masuda, K.; Ageta, H.; Chakravarty, A. K.; Das, B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3216 - 3217
• a: 7.755 Å
• b: 7.755 Å
• c: 35.137 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1830.03 ± 0.1 ų
• Cell temperature: 296 K
• Number of distinct elements: 3
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.036
• Goodness-of-fit parameter for significantly intense reflections: 1.31
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No