Information card for entry 4101843

Structure parameters

• Formula: C13 H16 O4 S
• Calculated formula: C13 H16 O4 S
• SMILES: S1(=O)(=O)[C@@H]([C@@H](CCC1)c1ccccc1)C(=O)OC
• 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: 5.7607 ± 0.0007 Å
• b: 11.1384 ± 0.0016 Å
• c: 20.346 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1305.5 ± 0.3 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: 0.0774
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No