Information card for entry 2008926

Structure parameters

• Chemical name: 1-N,2-O-Carbonyl-3,5-O-isopropylidene-1-N(2'[R]-2'-methyl-3'-oxo-pentanoyl)- α-D-xylofuranosylamine'
• Formula: C15 H21 N O7
• Calculated formula: C15 H21 N O7
• SMILES: O1[C@H]2[C@H](O[C@H]3[C@@H]2OC(OC3)(C)C)N(C1=O)C(=O)[C@@H](C(=O)CC)C
• Title of publication: 1-<i>N</i>,2-<i>O</i>-Carbonyl-3,5-<i>O</i>-isopropylidene-1-<i>N</i>-[(2<i>R</i>)-2-methyl-3-oxopentanoyl]-α-<small>D</small>-xylofuranosylamine
• Authors of publication: Kopf, Jürgen; Lützen, Arne; Köll, Peter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1541 - 1542
• a: 9.201 ± 0.001 Å
• b: 10.027 ± 0.001 Å
• c: 18.217 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1680.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.039
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes