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Information card for entry 4120689
Preview
Coordinates | 4120689.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H54 Cl2 O2 P2 Pd |
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Calculated formula | C58 H54 Cl2 O2 P2 Pd |
SMILES | [Pd]1(Cl)(Cl)[P](c2c3OC45Oc6c(C[C@@H]5CCC[C@H]4Cc3ccc2)cccc6[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1C.c1ccccc1C |
Title of publication | Spiroketal-based diphosphine ligands in pd-catalyzed asymmetric allylic amination of morita-baylis-hillman adducts: exceptionally high efficiency and new mechanism. |
Authors of publication | Wang, Xiaoming; Guo, Peihua; Han, Zhaobin; Wang, Xubin; Wang, Zheng; Ding, Kuiling |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 1 |
Pages of publication | 405 - 411 |
a | 9.2918 ± 0.0008 Å |
b | 20.1508 ± 0.0017 Å |
c | 25.42 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4759.6 ± 0.7 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0297 |
Residual factor for significantly intense reflections | 0.0258 |
Weighted residual factors for significantly intense reflections | 0.0599 |
Weighted residual factors for all reflections included in the refinement | 0.0621 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
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/4120689.html
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