Information card for entry 7123628

Structure parameters

• Formula: C19.5 H25.5 Cl2 N Rh
• Calculated formula: C19.5 H25.5 Cl2 N Rh
• 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: 8.4219 ± 0.0012 Å
• b: 35.714 ± 0.005 Å
• c: 13.5618 ± 0.0019 Å
• α: 90°
• β: 101.876 ± 0.002°
• γ: 90°
• Cell volume: 3991.8 ± 1 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No