Information card for entry 4023723

Structure parameters

• Formula: C18 H25 N O3 S
• Calculated formula: C18 H25 N O3 S
• Title of publication: Organolithium-Mediated Conversion of β-Alkoxy Aziridines into Allylic Sulfonamides: Effect of the N-Sulfonyl Group and a Formal Synthesis of (\±)-Perhydrohistrionicotoxin
• Authors of publication: Susannah C. Coote; Stephen P. Moore; Peter O'Brien; Adrian C. Whitwood; John Gilday
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 7852 - 7855
• a: 13.5621 ± 0.0008 Å
• b: 13.4559 ± 0.0007 Å
• c: 19.5848 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3574 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No