Information card for entry 4109454

Structure parameters

• Formula: C23 H33 O P
• Calculated formula: C23 H33 O P
• SMILES: P(c1ccc(OC)cc1)(C)c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: Palladium-Catalyzed Asymmetric Phosphination. Scope, Mechanism, and Origin of Enantioselectivity
• Authors of publication: Natalia F. Blank; Jillian R. Moncarz; Tim J. Brunker; Corina Scriban; Brian J. Anderson; Omar Amir; David S. Glueck; Lev N. Zakharov; James A. Golen; Christopher D. Incarvito; Arnold L. Rheingold
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 6847 - 6858
• a: 9.4976 ± 0.0008 Å
• b: 9.5461 ± 0.0008 Å
• c: 11.7991 ± 0.001 Å
• α: 90°
• β: 90.303 ± 0.002°
• γ: 90°
• Cell volume: 1069.75 ± 0.16 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 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: 0.0612
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 0.79
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No