Information card for entry 4072817

Structure parameters

• Formula: C70 H73 N3 O6 P2 Si4
• Calculated formula: C70 H73 N3 O6 P2 Si4
• SMILES: p1(Oc2ccccc2c2ccccc2Op2oc3c([Si](C)(C)C)cc4c(c3c3c5c(cc([Si](C)(C)C)c3o2)cccc5)cccc4)oc2c(c3c(o1)c([Si](C)(C)C)cc1c3cccc1)c1c(cc2[Si](C)(C)C)cccc1.N#CC.N#CC.N#CC
• Title of publication: Effect of the Dihedral Angle of Biaryl-Bridged Bisphosphite Ligands on Enantioselectivity and Regioselectivity of Asymmetric Hydroformylation
• Authors of publication: Cobley, Christopher J.; Froese, Robert D. J.; Klosin, Jerzy; Qin, Cheng; Whiteker, Gregory T.; Abboud, Khalil A.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 12
• Pages of publication: 2986
• a: 9.6032 ± 0.0006 Å
• b: 21.6943 ± 0.0013 Å
• c: 32.986 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6872.1 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0878
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No