Information card for entry 7104143

Structure parameters

• Formula: C29 H33 N O3 S2
• Calculated formula: C29 H33 N O3 S2
• SMILES: C=C[C@@H]([C@@H](C=C)[C@H](N(S(=O)(=O)c1ccc(cc1)C)C)Cc1ccc(cc1)OC)Sc1ccccc1.C=C[C@H]([C@H](C=C)[C@@H](N(S(=O)(=O)c1ccc(cc1)C)C)Cc1ccc(cc1)OC)Sc1ccccc1
• Title of publication: Highly regioselective ring-opening of trisubstituted aziridines by sulfur-stabilised carbanions.
• Authors of publication: Carballares, Santiago; Craig, Donald; Hyland, Christopher J T; Lu, Pengfei; Mathie, Tanya; White, Andrew J P
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 4
• Pages of publication: 451 - 453
• a: 15.6552 ± 0.0002 Å
• b: 12.3842 ± 0.0002 Å
• c: 28.0436 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5437.01 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 1.54248 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No