Information card for entry 4107121

Structure parameters

• Formula: C41 H61 O P
• Calculated formula: C41 H61 O P
• SMILES: P(C(C)(C)C)(C(C)(C)C)c1c(OC)ccc(C)c1c1c(C(C)C)cc(C(C)C)c(c2ccc(CCCC)cc2)c1C(C)C
• Title of publication: Evidence for in Situ Catalyst Modification during the Pd-Catalyzed Conversion of Aryl Triflates to Aryl Fluorides
• Authors of publication: Thomas J. Maimone; Phillip J. Milner; Tom Kinzel; Yong Zhang; Michael K. Takase; Stephen L. Buchwald
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 18106 - 18109
• a: 10.633 ± 0.004 Å
• b: 11.053 ± 0.004 Å
• c: 16.941 ± 0.006 Å
• α: 107.083 ± 0.007°
• β: 102.721 ± 0.008°
• γ: 96.416 ± 0.01°
• Cell volume: 1822.9 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0674
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No