Information card for entry 4067619

Structure parameters

• Formula: C34 H28 O2 P2
• Calculated formula: C34 H28 O2 P2
• SMILES: O1c2c(P(c3ccccc3P3c4cc(ccc4Oc4c3cc(cc4)C)C)c3cc(ccc13)C)cc(cc2)C
• Title of publication: Phenoxaphosphine-Based Diphosphine Ligands. Synthesis and Application in the Hydroformylation Reaction
• Authors of publication: Zuidema, Erik; Goudriaan, P. Elsbeth; Swennenhuis, Bert H. G.; Kamer, Paul C. J.; van Leeuwen, Piet W. N. M.; Lutz, Martin; Spek, Anthony L.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 5
• Pages of publication: 1210
• a: 25.2531 ± 0.0018 Å
• b: 7.806 ± 0.0004 Å
• c: 17.0051 ± 0.0008 Å
• α: 90°
• β: 126.849 ± 0.003°
• γ: 90°
• Cell volume: 2682.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No