Information card for entry 7204397

Structure parameters

• Formula: C24 H34 N4 O4 S
• Calculated formula: C24 H34 N4 O4 S
• SMILES: CCN(CC)S(=O)(=O)C[C@]12CC[C@H](C[C@H]1OC(=O)[C@@]1(CN1)n1cnc3c1cccc3)C2(C)C
• 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: 10.1128 ± 0.0013 Å
• b: 12.9983 ± 0.0016 Å
• c: 18.399 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2418.5 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No