Information card for entry 4108903

Structure parameters

• Formula: C17 H15 N O3 S
• Calculated formula: C17 H15 N O3 S
• SMILES: C1(=O)C[C@@H]([C@]2(c3ccccc3S(=O)(=O)N12)C)c1ccccc1
• Title of publication: Cyclic Ketimines as Superior Electrophiles for NHC-Catalyzed Homoenolate Additions with Broad Scope and Low Catalyst Loadings
• Authors of publication: Michael Rommel; Takeo Fukuzumi; Jeffrey W. Bode
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 17266 - 17267
• a: 7.2823 ± 0.0005 Å
• b: 8.0024 ± 0.0006 Å
• c: 24.632 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1435.45 ± 0.18 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 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: 0.048
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No