Information card for entry 2205131

Structure parameters

• Chemical name: (3R,4R,5S)-5-(Acetamidomethyl)-N-benzyl-3,4-dihydroxytetrahydrofuran- 3-carboxamide
• Formula: C15 H20 N2 O5
• Calculated formula: C15 H20 N2 O5
• SMILES: [C@@]1([C@@H]([C@@H](OC1)CNC(=O)C)O)(C(=O)NCc1ccccc1)O
• Title of publication: (3<i>R</i>,4<i>R</i>,5<i>S</i>)-5-(Acetamidomethyl)-<i>N</i>-benzyl-3,4-dihydroxytetrahydrofuran-3-carboxamide
• Authors of publication: Punzo, Francesco; Watkin, David J.; Iezzi Simone, Michela; Fleet, George W. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o513 - o515
• a: 15.3802 ± 0.0006 Å
• b: 5.4473 ± 0.0002 Å
• c: 18.0635 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1513.37 ± 0.11 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0465
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9344
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes