Information card for entry 2101860

Structure parameters

• Chemical name: D-galactonic acid hydrazide
• Formula: C6 H14 N2 O6
• Calculated formula: C6 H14 N2 O6
• SMILES: C(=O)([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)NN
• Title of publication: Hydrogen-Bonding Schemes of Galactonic Acid Hydrazide and its Hemihydrate
• Authors of publication: André, C.; Luger, P.; Fuhrhop, J.-H.; Hahn, F.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 490 - 497
• a: 5.7444 ± 0.0003 Å
• b: 17.314 ± 0.0008 Å
• c: 4.6903 ± 0.0004 Å
• α: 90°
• β: 106.77 ± 0.01°
• γ: 90°
• Cell volume: 446.65 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for all reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.0558
• Goodness-of-fit parameter for all reflections: 1.118
• Goodness-of-fit parameter for significantly intense reflections: 1.092
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes