Information card for entry 7101169

Structure parameters

• Formula: C84 H88 B2 F8 O8 P4 Rh2
• Calculated formula: C84 H88 B2 F8 O8 P4 Rh2
• SMILES: [Rh]1234([P]5(Oc6ccc(c(c6c6c(O5)ccc(c6C)C)C)C)Oc5c([P]1(c1ccccc1)c1ccccc1)cccc5)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[B](F)(F)(F)[F-].O.O
• Title of publication: Highly enantioselective hydrogenation of enol ester phosphonates catalyzed by rhodium phosphine-phosphite complexes.
• Authors of publication: Miguel Rubio; Andres Suarez; Eleuterio Alvarez; Antonio Pizzano
• Journal of publication: Chemical Communications
• Year of publication: 2005
• Journal issue: 5
• a: 16.332 ± 0.0012 Å
• b: 21.0373 ± 0.0015 Å
• c: 23.4288 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8049.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0932
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No