Information card for entry 1519959

Structure parameters

• Chemical name: D-Tartaric Acid
• Formula: C4 H6 O6
• Calculated formula: C4 H6 O6
• SMILES: C(=O)([C@H]([C@@H](C(=O)O)O)O)O
• Title of publication: D-Tartaric Acid - C4H4O4
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 553
• a: 5.0003 ± 0.0003 Å
• b: 5.9383 ± 0.0002 Å
• c: 19.9866 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 593.47 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0504
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No