Information card for entry 8100636

Structure parameters

• Formula: C9 H15 N O4
• Calculated formula: C9 H15 N O4
• SMILES: O1N[C@H]2[C@@H](C1)[C@@H](O)[C@@H]1OC(O[C@H]21)(C)C
• Title of publication: Crystal structure of (3aS,4R,5S,6R,6aS)-4,5,6-trihydroxy-5,6-O-isopropylidene- 3,3a,4,5,6,6a-hexahydro-1H-cyclopent[c]isoxazole, C~9~H~15~NO~4~
• Authors of publication: Gültekin, Zeynep; Frey, Wolfgang; Jäger, Volker
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 2
• Pages of publication: 279 - 280
• a: 8.8078 ± 0.0006 Å
• b: 21.2092 ± 0.0013 Å
• c: 5.342 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 997.92 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No