Information card for entry 4100225

Structure parameters

• Formula: C26 H24 N2 O4 S
• Calculated formula: C26 H24 N2 O4 S
• SMILES: S(=O)(=O)(N1C(=O)[C@@]2(C(=O)N(c3c2cccc3)Cc2ccccc2)C[C@H]1C)c1ccc(C)cc1.S(=O)(=O)(N1C(=O)[C@]2(C(=O)N(c3c2cccc3)Cc2ccccc2)C[C@@H]1C)c1ccc(C)cc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 9.75 ± 0.01 Å
• b: 10.807 ± 0.012 Å
• c: 12.172 ± 0.01 Å
• α: 103.37 ± 0.08°
• β: 95.24 ± 0.08°
• γ: 113.1 ± 0.08°
• Cell volume: 1123.7 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.1044
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No