Information card for entry 7205907

Structure parameters

• Formula: C24 H36 N2 O6 S
• Calculated formula: C24 H36 N2 O6 S
• SMILES: S(=O)(=O)(NC(C(=O)OCC)C(C(=O)OCC)=C=NC(C)(C)CC(C)(C)C)c1ccc(cc1)C
• Title of publication: An environmentally benign approach for the synthesis of bifunctional sulfonamide-amide compounds via isocyanide-based multicomponent reactions
• Authors of publication: Shaabani, Ahmad; Sarvary, Afshin; Ghasemi, Sabrieh; Rezayan, Ali Hossein; Ghadari, Rahim; Ng, Seik Weng
• Journal of publication: Green Chemistry
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 582
• a: 8.818 ± 0.002 Å
• b: 10.459 ± 0.002 Å
• c: 16.684 ± 0.004 Å
• α: 73.495 ± 0.003°
• β: 82.566 ± 0.004°
• γ: 65.165 ± 0.003°
• Cell volume: 1338.8 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1706
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.194
• Weighted residual factors for all reflections included in the refinement: 0.2562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No