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Information card for entry 4025697
Preview
Coordinates | 4025697.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H34 Cl P Pd |
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Calculated formula | C16 H34 Cl P Pd |
SMILES | [Pd]12(Cl)([P](CC(C)(C)C)(C(C)(C)C)C(C)(C)C)[CH2]=[CH]1C2 |
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 | 8.9219 ± 0.0005 Å |
b | 13.8729 ± 0.0008 Å |
c | 15.1814 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1879.04 ± 0.19 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0307 |
Residual factor for significantly intense reflections | 0.0242 |
Weighted residual factors for significantly intense reflections | 0.0434 |
Weighted residual factors for all reflections included in the refinement | 0.0449 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4025697.html
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