Information card for entry 8100566

Structure parameters

• Formula: C20 H27 N O5 S
• Calculated formula: C21 H27 N O4 S
• Title of publication: Crystal structure of 9-hydroxy-8-[1-(4-methylsulfanylbenzyloxyimino)- butyl]-6-oxa-spiro[4.5]dec-8-en-7-one, C~20~H~27~NO~4~S
• Authors of publication: Liepa, A. J.; Hofmann, A.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 1
• Pages of publication: 89 - 90
• a: 12.262 ± 0.002 Å
• b: 12.391 ± 0.001 Å
• c: 14.55 ± 0.001 Å
• α: 90°
• β: 113.96 ± 0.01°
• γ: 90°
• Cell volume: 2020.2 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No