Information card for entry 4121450

Structure parameters

• Formula: C53 H73 O2 P
• Calculated formula: C53 H73 O2 P
• Title of publication: Pd-catalyzed nucleophilic fluorination of aryl bromides.
• Authors of publication: Lee, Hong Geun; Milner, Phillip J.; Buchwald, Stephen L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 10
• Pages of publication: 3792 - 3795
• a: 15.647 ± 0.0007 Å
• b: 17.5051 ± 0.0008 Å
• c: 18.3972 ± 0.0009 Å
• α: 89.321 ± 0.001°
• β: 71.715 ± 0.001°
• γ: 69.433 ± 0.001°
• Cell volume: 4452.1 ± 0.4 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: 0.0777
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.18
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No