Information card for entry 1505405

Structure parameters

• Formula: C13 H16 Cl3 N O4 S2
• Calculated formula: C13 H16 Cl3 N O4 S2
• SMILES: S1(=O)(=O)N([C@H]([C@H]1CCC)C(Cl)(Cl)Cl)S(=O)(=O)c1ccc(cc1)C
• Title of publication: Catalytic asymmetric formation of beta-sultams.
• Authors of publication: Zajac, Marian; Peters, René
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 2007 - 2010
• a: 8.7448 ± 0.0002 Å
• b: 13.9102 ± 0.0003 Å
• c: 14.4931 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1762.97 ± 0.07 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• 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: 0.0335
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No