Information card for entry 4101158

Structure parameters

• Formula: C22 H30 N2 O2 S
• Calculated formula: C22 H30 N2 O2 S
• SMILES: S(=O)(=O)(NN=C[C@]1([C@H]([C@H]2C(CC=CC2=CC1)(C)C)C)C)c1ccc(cc1)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 6.435 ± 0.002 Å
• b: 12.833 ± 0.005 Å
• c: 25.451 ± 0.009 Å
• α: 90°
• β: 96.176 ± 0.009°
• γ: 90°
• Cell volume: 2089.7 ± 1.3 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: No
• Has Fobs: No