Information card for entry 7103779

Structure parameters

• Formula: C29 H27 Cl2 N3 O6 S4
• Calculated formula: C29 H27 Cl2 N3 O6 S4
• SMILES: c12c(C(C(N(S2=NS(=O)(=O)c2ccc(cc2)C)S(=O)(=O)c2ccc(cc2)C)NS(=O)(=O)c2ccc(cc2)C)(Cl)Cl)cccc1
• Title of publication: On the sulfimidation of benzo (b) thiophene
• Authors of publication: Andrew Boa; Stephen J. Archibald; Nela Pesa
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 9.5409 ± 0.001 Å
• b: 13.9647 ± 0.0009 Å
• c: 23.344 ± 0.002 Å
• α: 90°
• β: 96.45 ± 0.008°
• γ: 90°
• Cell volume: 3090.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1216
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 0.607
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No