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Information card for entry 4025695
Preview
Coordinates | 4025695.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H58 P2 Pd |
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Calculated formula | C26 H58 P2 Pd |
SMILES | C(C(C)(C)C)[P](C(C)(C)C)(C(C)(C)C)[Pd][P](CC(C)(C)C)(C(C)(C)C)C(C)(C)C |
Title of publication | Synthesis and X-ray Structure Determination of Highly Active Pd(II), Pd(I), and Pd(0) Complexes of Di(tert-butyl)neopentylphosphine (DTBNpP) in the Arylation of Amines and Ketones |
Authors of publication | Lensey L. Hill; Jason L. Crowell; Strudwick L. Tutwiler; Nicholas L. Massie; C. Corey Hines; Scott T. Griffin; Robin D. Rogers; Kevin H. Shaughnessy; Gabriela A. Grasa; Carin C. C. Johansson Seechurn; Hongbo Li; Thomas J. Colacot; Joe Chou; Christopher J. Woltermann |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2010 |
Journal volume | 75 |
Pages of publication | 6477 - 6488 |
a | 8.5967 ± 0.0015 Å |
b | 16.076 ± 0.003 Å |
c | 21.506 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2972.1 ± 0.9 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0278 |
Residual factor for significantly intense reflections | 0.02 |
Weighted residual factors for significantly intense reflections | 0.048 |
Weighted residual factors for all reflections included in the refinement | 0.051 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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