Information card for entry 7151026

Structure parameters

• Formula: C24 H29 N O6 S
• Calculated formula: C24 H29 N O6 S
• Title of publication: Organocatalytic asymmetric ring-opening of aziridines
• Authors of publication: Paixão, Márcio W.; Nielsen, Martin; Jacobsen, Christian Borch; Jørgensen, Karl Anker
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 19
• Pages of publication: 3467 - 3470
• a: 5.7683 ± 0.0002 Å
• b: 9.0468 ± 0.0003 Å
• c: 43.5087 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2270.49 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No