Information card for entry 1567523

Structure parameters

• Formula: C68 H72 P4 Rh2
• Calculated formula: C68 H72 P4 Rh2
• SMILES: [Rh]1([Rh]2[P@@]3([C@@H](CC[C@H]3c3ccccc3)c3ccccc3)CC[P@]32[C@H](c2ccccc2)CC[C@H]3c2ccccc2)[P@]2([C@@H](CC[C@H]2c2ccccc2)c2ccccc2)CC[P@]21[C@@H](CC[C@H]2c1ccccc1)c1ccccc1
• Title of publication: Direct Method to Access Various Functional Arylalkoxysilanes by Rh-catalysed Intermolecular C–H Silylation of Alkoxysilane
• Authors of publication: Som, Salina; Choi, Jongwook; Katsoulis, Dimitris; Lee, Kangsang L.
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 13.1998 ± 0.0004 Å
• b: 18.0969 ± 0.0005 Å
• c: 24.5076 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5854.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0841
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.701
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No