Information card for entry 8100470

Structure parameters

• Formula: C13 H19 N O2 S3
• Calculated formula: C13 H19 N O2 S3
• Title of publication: Crystal structure of 7-(p-toluenesulfonyl)-7-aza-1,4-dithiacyclononane (Ts[9]aneNS2), C~13~H~19~NO~2~S~3~
• Authors of publication: Wilhelm, Michaela; Strasdeit, Henry
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 4
• Pages of publication: 551 - 552
• a: 11.7973 ± 0.0009 Å
• b: 5.6054 ± 0.0003 Å
• c: 11.938 ± 0.0009 Å
• α: 90°
• β: 107.977 ± 0.009°
• γ: 90°
• Cell volume: 750.9 ± 0.09 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No