Information card for entry 4347308

Structure parameters

• Formula: C14 H15 P
• Calculated formula: C14 H15 P
• SMILES: P(C)(C)c1ccccc1c1ccccc1
• Title of publication: Steric and Electronic Influences of Buchwald-Type Alkyl-JohnPhos Ligands.
• Authors of publication: Kendall, Alexander J.; Zakharov, Lev N.; Tyler, David R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 3079 - 3090
• a: 7.9111 ± 0.0005 Å
• b: 11.4369 ± 0.0008 Å
• c: 13.9141 ± 0.0009 Å
• α: 78.752 ± 0.003°
• β: 80.116 ± 0.003°
• γ: 79.644 ± 0.003°
• Cell volume: 1202.4 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No