Information card for entry 4101080

Structure parameters

• Formula: C25 H34 N2 O3 S
• Calculated formula: C25 H34 N2 O3 S
• SMILES: S(=O)(=O)(NN=C[C@]12CC=C(C)CCC=C(C)CC[C@@H]1CC(=O)CC2)c1ccc(C)cc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 14.318 ± 0.004 Å
• b: 10.207 ± 0.003 Å
• c: 16.772 ± 0.004 Å
• α: 90°
• β: 102.725 ± 0.005°
• γ: 90°
• Cell volume: 2391 ± 1.1 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