Information card for entry 4023613

Structure parameters

• Common name: Paquette 1642b
• Formula: C24 H24 Br2 N2 O4 S2
• Calculated formula: C24 H24 Br2 N2 O4 S2
• SMILES: [C@H]1(CBr)[C@H](CN(c2ccccc2N1S(=O)(=O)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C)Br.[C@@H]1(CBr)[C@@H](CN(c2ccccc2N1S(=O)(=O)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C)Br
• Title of publication: Neighboring Group Participation by Sulfonamido Nitrogen
• Authors of publication: Nicolas Proust; Judith C. Gallucci; Leo A. Paquette
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 6279 - 6282
• a: 8.0838 ± 0.0001 Å
• b: 13.4772 ± 0.0002 Å
• c: 22.9987 ± 0.0003 Å
• α: 90°
• β: 98.69 ± 0.001°
• γ: 90°
• Cell volume: 2476.87 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No