Information card for entry 7159513

Structure parameters

• Formula: C25 H34 O4 Si
• Calculated formula: C25 H34 O4 Si
• SMILES: [Si](OC[C@H]1OC(=O)C[C@@H]1C(OC)(C)C)(c1ccccc1)(c1ccccc1)C(C)(C)C.[Si](OC[C@@H]1OC(=O)C[C@H]1C(OC)(C)C)(c1ccccc1)(c1ccccc1)C(C)(C)C
• Title of publication: A <i>cis</i>-β-iron(III) SALPN catalyst for hydrogen atom transfer reductions and olefin cross couplings.
• Authors of publication: Ricca, Michael; Yao, Shaolei; Le, Tommy; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 33
• Pages of publication: 6789 - 6793
• a: 9.35425 ± 0.00016 Å
• b: 11.58392 ± 0.00018 Å
• c: 21.9396 ± 0.0003 Å
• α: 90°
• β: 93.5438 ± 0.0015°
• γ: 90°
• Cell volume: 2372.8 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No