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Information card for entry 4068037
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Coordinates | 4068037.cif |
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Original paper (by DOI) | HTML |
Chemical name | [(dippe)Ni(η2-Cα,Cβ-bis-(4-methoxybenzylidene)acetone)] |
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Formula | C33 H50 Ni O3 P2 |
Calculated formula | C33 H50 Ni O3 P2 |
SMILES | c1(ccc(cc1)OC)/C=C/C(=O)[CH]1=[CH](c2ccc(cc2)OC)[Ni]21[P](C(C)C)(C(C)C)CC[P]2(C(C)C)C(C)C |
Title of publication | Nickel-Catalyzed Alkylation and Transfer Hydrogenation of α,β-Unsaturated Enones with Methanol |
Authors of publication | Castellanos-Blanco, Nahury; Flores-Alamo, Marcos; García, Juventino J. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 2 |
Pages of publication | 680 |
a | 8.351 ± 0.0004 Å |
b | 8.7651 ± 0.0005 Å |
c | 22.6641 ± 0.0012 Å |
α | 79.568 ± 0.004° |
β | 84.781 ± 0.004° |
γ | 85.861 ± 0.004° |
Cell volume | 1622.14 ± 0.15 Å3 |
Cell temperature | 125 ± 2 K |
Ambient diffraction temperature | 125 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0468 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0803 |
Weighted residual factors for all reflections included in the refinement | 0.0825 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
Diffraction radiation probe | x-ray |
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/4068037.html
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