Information card for entry 7104145

Structure parameters

• Formula: C31 H36 N2 O6 S2
• Calculated formula: C31 H36 N2 O6 S2
• 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: 15.217 ± 0.009 Å
• b: 15.731 ± 0.003 Å
• c: 26.981 ± 0.005 Å
• α: 90°
• β: 101.78 ± 0.03°
• γ: 90°
• Cell volume: 6323 ± 4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1677
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No