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Information card for entry 4064526
Preview
Coordinates | 4064526.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H50 Al Cl N Ni P |
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Calculated formula | C31 H50 Al Cl N Ni P |
SMILES | [Ni]12([Cl][Al]([N]1=C1C(C2)(Cc2c1cccc2)C)(C)C)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1 |
Title of publication | Intramolecular Oxidative Cyclization of Alkenes and Nitriles with Nickel(0) |
Authors of publication | Ohashi, Masato; Ikawa, Masashi; Ogoshi, Sensuke |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 10 |
Pages of publication | 2765 |
a | 10.4287 ± 0.0005 Å |
b | 12.2964 ± 0.0008 Å |
c | 14.4467 ± 0.0008 Å |
α | 66.299 ± 0.002° |
β | 80.093 ± 0.002° |
γ | 67.103 ± 0.002° |
Cell volume | 1562.39 ± 0.16 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.039 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0862 |
Weighted residual factors for all reflections included in the refinement | 0.0897 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4064526.html
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