Information card for entry 1550165

Structure parameters

• Formula: C25 H39 Ir O2 Si
• Calculated formula: C25 H39 Ir O2 Si
• SMILES: [Ir]1234567([c]8([Si](C)(C)C)[c]91[c]2([C@H]([C@H]1OC(O[C@@H]1[C@@H]9C)(C)C)C)[cH]3[cH]48)[CH]1=[CH]5CC[CH]6=[CH]7CC1
• Title of publication: Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis
• Authors of publication: Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D.
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 7.70304 ± 0.00011 Å
• b: 11.49824 ± 0.00016 Å
• c: 26.9058 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2383.08 ± 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: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections included in the refinement: 0.0374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No