Information card for entry 2212280

Structure parameters

• Common name: 2,5-Anhydro-N-benzyl-2-C-methyl-D-arabinonamide
• Chemical name: (2S,3R,4R)-N-benzyl-3,4-dihydroxy-2-methyltetrahydrofuran-2-carboxamide
• Formula: C13 H17 N O4
• Calculated formula: C13 H17 N O4
• SMILES: [C@@]1([C@@H]([C@@H](CO1)O)O)(C(=O)NCc1ccccc1)C
• Title of publication: 2,5-Anhydro-<i>N</i>-benzyl-2-<i>C</i>-methyl-<small>D</small>-arabinonamide [(2<i>S</i>,3<i>R</i>,4<i>R</i>)-<i>N</i>-benzyl-3,4-dihydroxy-2-methyltetrahydrofuran-2-carboxamide]
• Authors of publication: Cox, Daniel J.; Håkansson, Anders E.; Fleet, George W. J.; Watkin, David J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o574 - o576
• a: 5.6899 ± 0.0002 Å
• b: 11.3507 ± 0.0004 Å
• c: 18.5291 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1196.69 ± 0.08 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 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: 0.0525
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9254
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes