Information card for entry 7101262

Structure parameters

• Common name: C18H18N4S2O4.2(acetone)
• Formula: C24 H30 N4 O6 S2
• Calculated formula: C24 H30 N4 O6 S2
• SMILES: S(=O)(=O)(Nc1ccccc1)Nc1ccc(cc1)NS(=O)(=O)Nc1ccccc1.O=C(C)C.O=C(C)C
• Title of publication: Sulfamides and sulfamide polymers directly from sulfur dioxide
• Authors of publication: Alexander V. Leontiev; H. V. Rasika Dias; Dmitry M. Rudkevich
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 27
• a: 8.8506 ± 0.0006 Å
• b: 9.9988 ± 0.0007 Å
• c: 15.2627 ± 0.0011 Å
• α: 90°
• β: 101.152 ± 0.001°
• γ: 90°
• Cell volume: 1325.17 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No