Information card for entry 7104144

Structure parameters

• Formula: C34 H35 N O6 S2
• Calculated formula: C34 H35 N O6 S2
• SMILES: N1([C@H]([C@@H](COC1)[C@H](S(=O)(=O)c1ccccc1)/C=C/c1ccccc1)Cc1ccc(cc1)OC)S(=O)(=O)c1ccc(cc1)C.N1([C@@H]([C@H](COC1)[C@@H](S(=O)(=O)c1ccccc1)/C=C/c1ccccc1)Cc1ccc(cc1)OC)S(=O)(=O)c1ccc(cc1)C
• 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: 15.99842 ± 0.00007 Å
• b: 30.52231 ± 0.00013 Å
• c: 12.73593 ± 0.00006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6219.07 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54248 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No