Information card for entry 7150689

Structure parameters

• Formula: C30 H37 N O5 S
• Calculated formula: C30 H37 N O5 S
• SMILES: S(=O)(=O)(O[C@H]1CCN([C@H](C1)[C@H](OCc1ccccc1)COCc1ccccc1)[C@H](c1ccccc1)C)C
• Title of publication: Stereocontrolled synthesis of orthogonally protected 2-substituted 4-aminopiperidines
• Authors of publication: Badorrey, Ramón; Portaña, Elsa; Díaz-de-Villegas, María D.; Gálvez, José A.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 14
• Pages of publication: 2912 - 2918
• a: 10.0148 ± 0.0006 Å
• b: 10.6959 ± 0.0007 Å
• c: 12.9949 ± 0.0008 Å
• α: 90°
• β: 102.575 ± 0.001°
• γ: 90°
• Cell volume: 1358.59 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No