Information card for entry 7104566

Structure parameters

• Formula: C24 H31 N O2 S
• Calculated formula: C24 H31 N O2 S
• SMILES: Cc1ccc(cc1)S(=O)(=O)N[C@@H]1C(C)(C)[C@@H]2CCc3ccccc3[C@@]2(C)CC1.Cc1ccc(cc1)S(=O)(=O)N[C@H]1C(C)(C)[C@H]2CCc3ccccc3[C@]2(C)CC1
• Title of publication: Bio-inspired polyene cyclization: aziridinyl polyene cyclization catalyzed by InBr(3).
• Authors of publication: Zhao, Yu-Jun; Tan, Li-Jun Serena; Li, Bin; Li, Si-Min; Loh, Teck-Peng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 25
• Pages of publication: 3738 - 3740
• a: 7.4457 ± 0.0003 Å
• b: 10.0804 ± 0.0005 Å
• c: 15.3234 ± 0.0007 Å
• α: 105.483 ± 0.002°
• β: 98.831 ± 0.002°
• γ: 91.245 ± 0.002°
• Cell volume: 1092.85 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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 all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No