Information card for entry 1520246

Structure parameters

• Chemical name: DL-Tartaric Acid & Morpholine
• Formula: C8 H17 N O8
• Calculated formula: C8 H17 N O8
• SMILES: C(=O)([C@@H]([C@H](C(=O)[O-])O)O)O.C1COCC[NH2+]1.O.C(=O)([C@H]([C@@H](C(=O)[O-])O)O)O.C1COCC[NH2+]1.O
• Title of publication: DL-Tartaric Acid + Morpholine monohydrate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 455
• a: 7.6152 ± 0.0007 Å
• b: 8.2002 ± 0.0011 Å
• c: 10.1113 ± 0.0012 Å
• α: 98.68 ± 0.01°
• β: 106.417 ± 0.008°
• γ: 105.156 ± 0.008°
• Cell volume: 567.11 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No