Information card for entry 4025775

Structure parameters

• Formula: C24 H39 N O4 S Si
• Calculated formula: C24 H39 N O4 S Si
• SMILES: C1C[C@@H]2[C@H](CN1S(=O)(=O)c1ccc(cc1)C)[C@@H](C[C@H]2C(=O)OCC)[Si](CC)(CC)CC.C1C[C@H]2[C@@H](CN1S(=O)(=O)c1ccc(cc1)C)[C@H](C[C@@H]2C(=O)OCC)[Si](CC)(CC)CC
• Title of publication: Stereoselective Synthesis of 2,4,5-Trisubstituted Piperidines via Radical Cyclization
• Authors of publication: Maria-Eleni Ragoussi; Stephen M. Walker; Andrea Piccanello; Benson M. Kariuki; Peter N. Horton; Neil Spencer; John S. Snaith
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 7347 - 7357
• a: 10.751 ± 0.004 Å
• b: 11.432 ± 0.004 Å
• c: 11.761 ± 0.006 Å
• α: 66.224 ± 0.017°
• β: 81.948 ± 0.019°
• γ: 80.06 ± 0.04°
• Cell volume: 1299 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No