Information card for entry 2220380

Structure parameters

• Chemical name: (1R,2S)-1,2-Dihydroxy-1,2-diformamidoethane
• Formula: C4 H8 N2 O4
• Calculated formula: C4 H8 N2 O4
• SMILES: O=CN[C@H]([C@H](NC=O)O)O
• Title of publication: (1<i>R</i>,2<i>S</i>)-<i>N</i>,<i>N</i>'-(1,2-Dihydroxyethylene)diformamide
• Authors of publication: Taheri, Amir; Moosavi, Sayed Mojtaba
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2316
• a: 6.5065 ± 0.0011 Å
• b: 7.2634 ± 0.0012 Å
• c: 12.772 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 603.6 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes