Information card for entry 2005717

Structure parameters

• Formula: C12 H18 N2 O5
• Calculated formula: C12 H18 N2 O5
• SMILES: OC[C@H]([C@H]([C@@H]([C@@H](/C=N/Nc1ccccc1)O)O)O)O
• Title of publication: Mannose Phenylhydrazone, an Acyclic Monosaccharide Derivative
• Authors of publication: Ojala, W. H.; Gleason, W. B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3188 - 3190
• a: 5.655 ± 0.001 Å
• b: 12.248 ± 0.002 Å
• c: 4.736 ± 0.001 Å
• α: 99.54 ± 0.01°
• β: 106.34 ± 0.01°
• γ: 96.27 ± 0.01°
• Cell volume: 306.19 ± 0.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.033
• Goodness-of-fit parameter for significantly intense reflections: 2.46
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No