Information card for entry 7706853

Structure parameters

• Common name: Rh(acac)CO(o-CF3-9-phosphatriptycene complex)
• Chemical name: (acetylacetonato)-carbonylrhodium-ortho-trifluoromethyl-9-phosphatriptycene complex
• Formula: C26 H19 F3 O3 P Rh
• Calculated formula: C26 H19 F3 O3 P Rh
• SMILES: [Rh]1(OC(=CC(=[O]1)C)C)([P]12c3ccccc3C(c3ccccc13)c1c2c(C(F)(F)F)ccc1)C#[O]
• Title of publication: Sterically hindered ortho-substituted phosphatriptycenes as configurationally stable P-chirogenic triarylphosphines.
• Authors of publication: Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Collard, Laurent; Robiette, Raphaël; Berionni, Guillaume
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 14
• Pages of publication: 4772 - 4777
• a: 8.26668 ± 0.00008 Å
• b: 15.72226 ± 0.00015 Å
• c: 17.6734 ± 0.00019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2297.03 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0281
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No