Information card for entry 7119566

Structure parameters

• Formula: C74 H47 B F24 Ir N O2 P2
• Calculated formula: C74 H47 B F24 Ir N O2 P2
• Title of publication: Reversible alkoxycarbene formation by C-H activation of ethers via discrete, isolable intermediates.
• Authors of publication: Zhang, Yuanyuan; Schley, Nathan D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 2130 - 2133
• a: 14.26025 ± 0.00019 Å
• b: 15.46771 ± 0.00019 Å
• c: 17.3328 ± 0.0002 Å
• α: 90.9277 ± 0.001°
• β: 110.582 ± 0.0012°
• γ: 103.184 ± 0.0011°
• Cell volume: 3465.26 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No