Information card for entry 4024926

Structure parameters

• Formula: C16 H25 N O3 S
• Calculated formula: C16 H25 N O3 S
• SMILES: C1[C@H](O)C[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: 12.375 ± 0.002 Å
• b: 5.7906 ± 0.001 Å
• c: 12.893 ± 0.002 Å
• α: 90°
• β: 115.43 ± 0.003°
• γ: 90°
• Cell volume: 834.4 ± 0.2 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: 0.0841
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No