Information card for entry 8100539

Structure parameters

• Formula: C15 H20.66 N2 O4.33 S
• Calculated formula: C15 H20.679 N2 O4.3395 S
• Title of publication: Crystal structure of (‒)-N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethylchroman- 4-yl]-N-methyl-ethansulfonamide hydrate, (CN)C~9~OH~5~(CH~3~)~2~(OH) N(CH~3~)SO~2~C~2~H~5~ · 0.34H~2~O
• Authors of publication: Paulus, E. F.; Burgard, A.; Lang, H.-J.; Gerlach, U.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 1
• Pages of publication: 139 - 140
• a: 10.577 ± 0.001 Å
• b: 26.465 ± 0.001 Å
• c: 12.088 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3383.53 ± 0.12 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No