Information card for entry 1506927

Structure parameters

• Formula: C23 H31 Cl5 N2 O2 S2
• Calculated formula: C23 H31 Cl5 N2 O2 S2
• SMILES: S(=O)(N[C@@H](c1ccc(Cl)cc1)[C@@H](NS(=O)C(C)(C)C)c1ccc(Cl)cc1)C(C)(C)C.ClC(Cl)Cl
• Title of publication: Highly diastereoselective and enantioselective synthesis of enantiopure C2-Symmetrical vicinal diamines by reductive homocoupling of chiral N-tert-butanesulfinyl imines.
• Authors of publication: Zhong, Yu-Wu; Izumi, Kenji; Xu, Ming-Hua; Lin, Guo-Qiang
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 25
• Pages of publication: 4747 - 4750
• a: 6.4482 ± 0.0009 Å
• b: 19.473 ± 0.003 Å
• c: 12.0535 ± 0.0017 Å
• α: 90°
• β: 102.17 ± 0.003°
• γ: 90°
• Cell volume: 1479.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1229
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.746
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No