Information card for entry 4021591

Structure parameters

• Formula: C26 H26 F3 N O8 S
• Calculated formula: C26 H26 F3 N O8 S
• Title of publication: Diastereoselection in the Formation of Spirocyclic Oxindoles by the Intramolecular Heck Reaction
• Authors of publication: Larry E. Overman; Donald A. Watson
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 2587 - 2599
• a: 10.3548 ± 0.0005 Å
• b: 10.9171 ± 0.0005 Å
• c: 23.6507 ± 0.0012 Å
• α: 90°
• β: 100.572 ± 0.001°
• γ: 90°
• Cell volume: 2628.2 ± 0.2 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No