Information card for entry 2102134

Structure parameters

• Chemical name: (R,R)-(+)-Tartaric acid N,N'-dimethyldiamide monohydrate
• Formula: C6 H14 N2 O5
• Calculated formula: C6 H14 N2 O5
• SMILES: C(=O)([C@@H]([C@H](C(=O)NC)O)O)NC.O
• Title of publication: Packing modes of (<i>R</i>,<i>R</i>)-tartaric acid esters and amides
• Authors of publication: Rychlewska, Urszula; Warżajtis, Beata
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 833 - 848
• a: 5.094 ± 0.001 Å
• b: 11.243 ± 0.002 Å
• c: 16.295 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 933.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0815
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections: 0.1627
• Weighted residual factors for significantly intense reflections: 0.146
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No