Information card for entry 4024925

Structure parameters

• Formula: C16 H25 N O3 S
• Calculated formula: C16 H25 N O3 S
• SMILES: OC[C@@H]1C[C@@H](CCc2ccccc2)N1S(=O)(=O)C(C)(C)C
• Title of publication: Stereoselective Synthesis of Azetidines and Pyrrolidines from N-tert-Butylsulfonyl(2-aminoalkyl)oxiranes
• Authors of publication: Mohamed Medjahdi; José C. González-Gómez; Francisco Foubelo; Miguel Yus
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 7859 - 7865
• a: 11.613 ± 0.003 Å
• b: 5.8224 ± 0.0016 Å
• c: 12.483 ± 0.004 Å
• α: 90°
• β: 102.266 ± 0.006°
• γ: 90°
• Cell volume: 824.8 ± 0.4 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 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: 0.1374
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No