Information card for entry 7205908

Structure parameters

• Formula: C24 H30 N2 O7 S
• Calculated formula: C24 H30 N2 O7 S
• SMILES: S(=O)(=O)(N[C@H]([C@@H](C(=O)OCC)C(=O)Nc1c(cccc1C)C)C(=O)OCC)c1ccc(cc1)C.S(=O)(=O)(N[C@@H]([C@H](C(=O)OCC)C(=O)Nc1c(cccc1C)C)C(=O)OCC)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: 11.2071 ± 0.0008 Å
• b: 23.3231 ± 0.0015 Å
• c: 11.1208 ± 0.0008 Å
• α: 90°
• β: 117.989 ± 0.001°
• γ: 90°
• Cell volume: 2566.8 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0912
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No