Information card for entry 7204398

Structure parameters

• Formula: C22 H33 N3 O5 S
• Calculated formula: C22 H33 N3 O5 S
• SMILES: C1[C@@](C(=O)O[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)CS(=O)(=O)N(CC)CC)(N1)n1cccc1C=O
• Title of publication: Diastereoselective synthesis of aziridines from (1R)-10-(N,N-dialkylsulfamoyl)isobornyl 2H-azirine-3-carboxylates
• Authors of publication: Yolanda S. P. Álvares; M. José Alves; Nuno G. Azoia; Jamie F. Bickley; Thomas L. Gilchrist
• Journal of publication: J. Chem. Soc., Perkin Trans. 1
• Year of publication: 2002
• Journal issue: 16
• Pages of publication: 1911 - 1919
• a: 10.0165 ± 0.0015 Å
• b: 12.3521 ± 0.0015 Å
• c: 10.5145 ± 0.0016 Å
• α: 90°
• β: 115.807 ± 0.016°
• γ: 90°
• Cell volume: 1171.2 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0518
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No