Information card for entry 1507003

Structure parameters

• Formula: C14 H28 N2 O2 S2
• Calculated formula: C14 H28 N2 O2 S2
• SMILES: S(=O)(N[C@@H]1[C@H](CCC1)C=NS(=O)C(C)(C)C)C(C)(C)C
• Title of publication: Self-condensation of N-tert-butanesulfinyl aldimines: application to the rapid asymmetric synthesis of biologically important amine-containing compounds.
• Authors of publication: Schenkel, Laurie B.; Ellman, Jonathan A.
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 20
• Pages of publication: 3621 - 3624
• a: 8.2637 ± 0.0004 Å
• b: 8.5345 ± 0.0004 Å
• c: 21.871 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1542.49 ± 0.13 ų
• Cell temperature: 169.2 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 significantly intense reflections: 0.0335
• Weighted residual factors for all reflections included in the refinement: 0.0432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.953
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No