Information card for entry 4123080

Structure parameters

• Formula: C23 H27 N4 P
• Calculated formula: C23 H27 N4 P
• SMILES: c12ccccc1N1c3ccccc3N(C)P1(N2C)Nc1c(cc(cc1C)C)C
• Title of publication: Reversible Intermolecular E-H Oxidative Addition to a Geometrically Deformed and Structurally Dynamic Phosphorous Triamide.
• Authors of publication: Zhao, Wei; McCarthy, Sean M.; Lai, Ting Yi; Yennawar, Hemant P.; Radosevich, Alexander T.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141203102325001
• a: 10.226 ± 0.005 Å
• b: 13.074 ± 0.006 Å
• c: 17.348 ± 0.008 Å
• α: 70.969 ± 0.008°
• β: 80.335 ± 0.008°
• γ: 71.356 ± 0.008°
• Cell volume: 2072.3 ± 1.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1012
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No