Information card for entry 8100712

Structure parameters

• Formula: C9 H13 N O4
• Calculated formula: C9 H13 N O4
• SMILES: O1[C@H]2[C@H](OC(=NO)[C@H]2OC1(C)C)C=C
• Title of publication: Crystal structure of (3R,4S,5R)-3,4-O-isopropylidenedioxy-5-vinyl- dihydro-furan-2-one oxime, C~9~H~13~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: 3
• Pages of publication: 403 - 404
• a: 6.2282 ± 0.0008 Å
• b: 8.23 ± 0.0006 Å
• c: 10.5903 ± 0.0008 Å
• α: 90°
• β: 105.256 ± 0.008°
• γ: 90°
• Cell volume: 523.71 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No