Information card for entry 8101002

Structure parameters

• Formula: C11 H14 F6 N2 O5 S2
• Calculated formula: C11 H14 F6 N2 O5 S2
• SMILES: S(=O)(=O)(N1CC(=O)CN(S(=O)(=O)C(F)(F)F)[C@H]2[C@H]1CCCC2)C(F)(F)F
• Title of publication: Crystal structure of (R,R)-N,N'-(2-oxo-1,3-propanediyl)-N,N'-bis (trifluoromethylsulfonyl)-1,2-cyclohexanediamine, C~11~H~14~F~6~N~2~O~5~S~2~
• Authors of publication: Yao, Qingwei; Zheng, Chong; Li, Shoujian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 3
• Pages of publication: 338 - 340
• a: 6.3625 ± 0.0001 Å
• b: 16.8205 ± 0.0002 Å
• c: 15.819 ± 0.0002 Å
• α: 90°
• β: 92.44°
• γ: 90°
• Cell volume: 1691.43 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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