Information card for entry 4110564

Structure parameters

• Formula: C44 H44 O7 P2
• Calculated formula: C44 H44 O7 P2
• SMILES: P(=O)(c1cccc2O[C@H]([C@@H](Oc3cccc(P(=O)(c4ccccc4)c4ccccc4)c3c12)C)C)(c1ccccc1)c1ccccc1.O=C(OCC)C.O
• Title of publication: A New Class of Versatile Chiral-Bridged Atropisomeric Diphosphine Ligands: Remarkably Efficient Ligand Syntheses and Their Applications in Highly Enantioselective Hydrogenation Reactions
• Authors of publication: Liqin Qiu; Fuk Yee Kwong; Jing Wu; Wai Har Lam; Shusun Chan; Wing-Yiu Yu; Yue-Ming Li; Rongwei Guo; Zhongyuan Zhou; Albert S. C. Chan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 5955 - 5965
• a: 11.334 ± 0.002 Å
• b: 15.006 ± 0.003 Å
• c: 11.748 ± 0.002 Å
• α: 90°
• β: 98.14 ± 0.005°
• γ: 90°
• Cell volume: 1977.9 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No