Information card for entry 8100950

Structure parameters

• Formula: C15 H18 N2 O5 S
• Calculated formula: C15 H18 N2 O5 S
• Title of publication: Crystal structure of 1-benzoylamino-8a-hydroperoxy-1,5,6,7,8,8a-hexahydro- 4H-cyclohepta[c]isothiazole 2,2-dioxide, C~15~H~18~N~2~O~5~S
• Authors of publication: Kolberg, A.; Schulze, B.; Sieler, J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 2
• Pages of publication: 309 - 310
• a: 9.2023 ± 0.0006 Å
• b: 9.3636 ± 0.0006 Å
• c: 9.9442 ± 0.0007 Å
• α: 112.628 ± 0.001°
• β: 92.811 ± 0.001°
• γ: 95.045 ± 0.001°
• Cell volume: 784.63 ± 0.09 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No