Information card for entry 4109457

Structure parameters

• Formula: C23 H30 F3 P
• Calculated formula: C23 H30 F3 P
• SMILES: P(c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C)c1ccc(cc1)C(F)(F)F
• 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: 9.53 ± 0.0013 Å
• b: 10.3374 ± 0.0015 Å
• c: 11.801 ± 0.0017 Å
• α: 72.103 ± 0.003°
• β: 87.885 ± 0.003°
• γ: 87.702 ± 0.003°
• Cell volume: 1105.1 ± 0.3 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.2158
• Weighted residual factors for all reflections included in the refinement: 0.2246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No