Information card for entry 4119344

Structure parameters

• Common name: CS-10223
• Chemical name: hartwig14
• Formula: C82 H116 Cl Ir O8 P2
• Calculated formula: C82 H116 Cl Ir O8 P2
• Title of publication: Iridium-Catalyzed Intermolecular Asymmetric Hydroheteroarylation of Bicycloalkenes
• Authors of publication: Christo S. Sevov; John F. Hartwig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 2116 - 2119
• a: 14.6721 ± 0.0008 Å
• b: 18.2645 ± 0.0009 Å
• c: 32.1473 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8614.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0465
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No