Information card for entry 8101191

Structure parameters

• Formula: C14 H15 N O5
• Calculated formula: C14 H15 N O5
• SMILES: OC[C@@H](C1=NO[C@@H]2C(=O)OC[C@H]12)OCc1ccccc1
• Title of publication: Crystal structure of (+)-(3aS,6aS,1'R)-6-oxo-3-(1'-O-benzyl-1',2'- dihydroxyethyl)-3a,4,6a-tetrahydrofuro[3,4-d]isoxazole, C~14~H~15~NO~5~
• Authors of publication: Henkel, Sonja; Fengler-Veith, Marion; Jäger, Volker
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 1
• Pages of publication: 131 - 132
• a: 6.232 ± 0.001 Å
• b: 8.444 ± 0.001 Å
• c: 26.141 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1375.6 ± 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 significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1349
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No