Information card for entry 1550167

Structure parameters

• Formula: C17 H28 O2 Si
• Calculated formula: C17 H28 O2 Si
• SMILES: [Si]([C@H]1C=CC2=C1[C@H]([C@H]1OC(O[C@@H]1[C@@H]2C)(C)C)C)(C)(C)C
• 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: 7.53335 ± 0.00013 Å
• b: 10.27117 ± 0.00014 Å
• c: 22.6089 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1749.39 ± 0.04 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0225
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No