Information card for entry 2218287

Structure parameters

• Chemical name: 3-<i>O</i>-Ethyl-L-ascorbic acid
• Formula: C8 H12 O6
• Calculated formula: C8 H12 O6
• SMILES: O(CC)C1=C(O)C(=O)O[C@H]1[C@H](O)CO
• Title of publication: 3-<i>O</i>-Ethyl-<small>L</small>-ascorbic acid
• Authors of publication: Jin, Shu; Miao, Xiaoqin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o860
• a: 4.669 ± 0.0009 Å
• b: 11.939 ± 0.002 Å
• c: 16.794 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 936.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes