Information card for entry 4101844

Structure parameters

• Formula: C18 H18 O3 S
• Calculated formula: C18 H18 O3 S
• SMILES: O=S1(=O)[C@@H]([C@@H](CCC1)c1ccccc1)C(=O)c1ccccc1
• Title of publication: Highly Enantioselective Intramolecular Copper Catalyzed C-H Insertion Reactions of α-Diazosulfones
• Authors of publication: Christopher J. Flynn; Curtis J. Elcoate; Simon E. Lawrence; Anita R. Maguire
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 1184 - 1185
• a: 5.794 ± 0.004 Å
• b: 14.547 ± 0.014 Å
• c: 18.538 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1562 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0681
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No