Information card for entry 2240805

Structure parameters

• Formula: C17 H27 N O2 S
• Calculated formula: C17 H27 N O2 S
• SMILES: S(=O)(=O)(c1c(cc(cc1C(C)C)C(C)C)C(C)C)N1CC1
• Title of publication: Crystal structure of 1-[(2,4,6-triisopropylphenyl)sulfonyl]aziridine
• Authors of publication: Knauer, Lena; Golz, Christopher; Strohmann, Carsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: o438 - o439
• a: 6.2679 ± 0.0008 Å
• b: 17.5289 ± 0.0018 Å
• c: 16.389 ± 0.0013 Å
• α: 90°
• β: 100.331 ± 0.01°
• γ: 90°
• Cell volume: 1771.5 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0798
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes