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Information card for entry 4116396
Preview
Coordinates | 4116396.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H14 Cr O3 |
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Calculated formula | C14 H14 Cr O3 |
SMILES | [Cr]12345([cH]6[c]75[c]4([cH]3[cH]2[cH]16)C[C@@H]([C@@H]7C)C)(C#[O])(C#[O])C#[O] |
Title of publication | Asymmetric Hydrogenation of Unfunctionalized Tetrasubstituted Olefins with a Cationic Zirconocene Catalyst |
Authors of publication | Malisa V. Troutman; Daniel H. Appella; Stephen L. Buchwald |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1999 |
Journal volume | 121 |
Pages of publication | 4916 - 4917 |
a | 7.4857 ± 0.0003 Å |
b | 9.9727 ± 0.0003 Å |
c | 17.7714 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1326.68 ± 0.08 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
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 | 0.069 |
Residual factor for significantly intense reflections | 0.0548 |
Weighted residual factors for all reflections | 0.1395 |
Weighted residual factors for significantly intense reflections | 0.1277 |
Goodness-of-fit parameter for all reflections | 1.133 |
Goodness-of-fit parameter for significantly intense reflections | 1.121 |
Diffraction radiation wavelength | 0.71073 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/4116396.html
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