Information card for entry 1576855

Structure parameters

• Formula: C21 H17 F6 N O3
• Calculated formula: C21 H17 F6 N O3
• Title of publication: Stereoselective palladium-catalyzed carboetherification of cyclopropenes <i>via</i> a tethering strategy.
• Authors of publication: Brownsey, Duncan K.; Schoepfer, Alexandre A.; Waser, Jerome
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 5072 - 5078
• a: 14.77504 ± 0.0001 Å
• b: 24.62736 ± 0.00017 Å
• c: 11.15008 ± 0.00006 Å
• α: 90°
• β: 90.3773 ± 0.0006°
• γ: 90°
• Cell volume: 4057.09 ± 0.04 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0336
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No