Information card for entry 1504713

Structure parameters

• Formula: C27 H26 N2 O4 S
• Calculated formula: C27 H26 N2 O4 S
• SMILES: [C@H](c1ccccc1)([C@H](CCC)c1ccccc1)c1cccn1S(=O)(=O)c1ccc(cc1)N(=O)=O.[C@@H](c1ccccc1)([C@@H](CCC)c1ccccc1)c1cccn1S(=O)(=O)c1ccc(cc1)N(=O)=O
• Title of publication: Diastereoselective Friedel-Crafts alkylation of indoles with chiral alpha-phenyl benzylic cations. Asymmetric synthesis of anti-1,1,2-triarylalkanes.
• Authors of publication: Chung, John Y. L.; Mancheno, Danny; Dormer, Peter G.; Variankaval, Narayan; Ball, Richard G.; Tsou, Nancy N.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 14
• Pages of publication: 3037 - 3040
• a: 9.5409 ± 0.0014 Å
• b: 11.5565 ± 0.0017 Å
• c: 12.0312 ± 0.0017 Å
• α: 64.324 ± 0.002°
• β: 81.666 ± 0.002°
• γ: 81.311 ± 0.002°
• Cell volume: 1177.1 ± 0.3 ų
• Cell temperature: 100 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: 0.038
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No