Information card for entry 1549858

Structure parameters

• Formula: C23 H26 Ir N O3
• Calculated formula: C23 H26 Ir N O3
• SMILES: [Ir]12345(OC(=O)C)([n]6c(O)cccc6c6ccccc16)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Revisiting the iridacycle-catalyzed hydrosilylation of enolizable imines
• Authors of publication: Pèrez-Miqueo, Jorge; San Nacianceno, Virginia; Urquiola, F. Borja; Freixa, Zoraida
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 24
• Pages of publication: 6316
• a: 16.13031 ± 0.00015 Å
• b: 14.54437 ± 0.00012 Å
• c: 17.33703 ± 0.00017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4067.36 ± 0.06 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0191
• Residual factor for significantly intense reflections: 0.0172
• Weighted residual factors for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No