Information card for entry 4070889

Structure parameters

• Formula: C22 H26 N P
• Calculated formula: C22 H26 N P
• SMILES: P(c1ccccc1)(c1ccccc1)C1=C(/C=N/C(C)(C)C)CCC1
• Title of publication: Palladium(II) 3-Iminophosphine Complexes as Intermolecular Hydroamination Catalysts for the Formation of Imines and Enamines
• Authors of publication: Shaffer, Andrew R.; Schmidt, Joseph A. R.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 1259
• a: 9.6727 ± 0.0018 Å
• b: 10.3984 ± 0.0019 Å
• c: 10.748 ± 0.002 Å
• α: 114.074 ± 0.003°
• β: 91.19 ± 0.003°
• γ: 102.036 ± 0.003°
• Cell volume: 958.5 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0504
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No