Information card for entry 2206582

Structure parameters

• Common name: N-Methoxycarbonyl-D-glucosaminide
• Chemical name: (1,3,4,-Tri-hydroxy-6-hydroxymethyl-tetrahydropyran-2-yl)methyl carbamate
• Formula: C8 H15 N O7
• Calculated formula: C8 H15 N O7
• SMILES: O1[C@@H](O)[C@H](NC(=O)OC)[C@@H](O)[C@H](O)[C@H]1CO
• Title of publication: Methyl [2,4,5-trihydroxy-6-(hydroxymethyl)perhydropyran-3-yl]carbamate
• Authors of publication: Shahid Iqbal Awan; M. Iqbal Choudhary; Atta-ur-Rahman; Shazia Anjum; Shamsher Ali; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2354 - o2356
• a: 6.5236 ± 0.0005 Å
• b: 17.5861 ± 0.0014 Å
• c: 9.0279 ± 0.0007 Å
• α: 90°
• β: 94.71 ± 0.001°
• γ: 90°
• Cell volume: 1032.23 ± 0.14 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: 0.0311
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes