Information card for entry 4106420

Structure parameters

• Formula: C40 H50 O4 P2 Pd2
• Calculated formula: C40 H50 O4 P2 Pd2
• SMILES: C1c2ccccc2[P](C(C)(C)C)(Cc2ccccc2)[Pd]21[O]=C(C)O[Pd]1(Cc3ccccc3[P]1(C(C)(C)C)Cc1ccccc1)[O]=C(C)O2
• Title of publication: Bulky, Optically Active P-Stereogenic Phosphine-Boranes from Pure H-Menthylphosphinates
• Authors of publication: David Gatineau; Laurent Giordano; Gérard Buono
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 10728 - 10731
• a: 9.2291 ± 0.0002 Å
• b: 21.3493 ± 0.0004 Å
• c: 19.9819 ± 0.0005 Å
• α: 90°
• β: 93.583 ± 0.001°
• γ: 90°
• Cell volume: 3929.43 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1206
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No