Information card for entry 4024446

Structure parameters

• Formula: C70.85 H66.7 Br6 Cl3.7 N9 O21 S6
• Calculated formula: C70.851 H66.702 Br6 Cl3.702 N9 O21 S6
• Title of publication: Effect of Sulfonyl Protecting Groups on the Neighboring Group Participation Ability of Sulfonamido Nitrogen
• Authors of publication: Nicolas Proust; Judith C. Gallucci; Leo A. Paquette
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 2897 - 2900
• a: 7.7822 ± 0.0016 Å
• b: 24.463 ± 0.005 Å
• c: 24.531 ± 0.005 Å
• α: 62.524 ± 0.003°
• β: 81.547 ± 0.003°
• γ: 86.098 ± 0.003°
• Cell volume: 4098.4 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1244
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No