Information card for entry 4110092

Structure parameters

• Formula: C33 H53 P
• Calculated formula: C33 H53 P
• SMILES: P(C(C)(C)C)(c1c(c(c(c(c1c1c(C(C)C)cc(cc1C(C)C)C(C)C)C)C)C)C)C(C)(C)C
• Title of publication: Pd-Catalyzed Amidations of Aryl Chlorides Using Monodentate Biaryl Phosphine Ligands: A Kinetic, Computational, and Synthetic Investigation
• Authors of publication: Takashi Ikawa; Timothy E. Barder; Mark R. Biscoe; Stephen L. Buchwald
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 13001 - 13007
• a: 11.2779 ± 0.0005 Å
• b: 15.8314 ± 0.0007 Å
• c: 17.6683 ± 0.0008 Å
• α: 76.531 ± 0.001°
• β: 83.363 ± 0.001°
• γ: 79.656 ± 0.001°
• Cell volume: 3009 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No