Information card for entry 7123627

Structure parameters

• Formula: C25 H14 Cl F6 N O
• Calculated formula: C25 H14 Cl F6 N O
• Title of publication: Rhodium(III)-Catalysed Carboxylate-Directed C-H Functionalizations of Isoxazoles with Alkynes
• Authors of publication: Yugandar , Somaraju; Nakamura, Hiroyuki
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 14.7536 ± 0.0019 Å
• b: 6.9198 ± 0.0009 Å
• c: 22.084 ± 0.003 Å
• α: 90°
• β: 108.867 ± 0.002°
• γ: 90°
• Cell volume: 2133.5 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0532
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No