Information card for entry 4100226

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: 10.155 ± 0.008 Å
• b: 14.69 ± 0.014 Å
• c: 17.696 ± 0.016 Å
• α: 113.53 ± 0.07°
• β: 101.53 ± 0.07°
• γ: 90.01 ± 0.07°
• Cell volume: 2362.1 ± 3.6 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: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0879
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No