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Information card for entry 4082952
Preview
Coordinates | 4082952.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44.5 H64 I N O3 U |
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Calculated formula | C44.5 H64 I N O3 U |
SMILES | [U]1(I)(Oc2c(N1c1c(cccc1C(C)C)C(C)C)cc(cc2C(C)(C)C)C(C)(C)C)([O]1CCCC1)([O]1CCCC1)Cc1ccccc1.c1(ccccc1)C |
Title of publication | Radical Reductive Elimination from Tetrabenzyluranium Mediated by an Iminoquinone Ligand |
Authors of publication | Matson, Ellen M.; Franke, Sebastian M.; Anderson, Nickolas H.; Cook, Timothy D.; Fanwick, Phillip E.; Bart, Suzanne C. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 8 |
Pages of publication | 1964 |
a | 28.2048 ± 0.0009 Å |
b | 15.3209 ± 0.0005 Å |
c | 22.6313 ± 0.0007 Å |
α | 90° |
β | 108.301 ± 0.002° |
γ | 90° |
Cell volume | 9284.9 ± 0.5 Å3 |
Cell temperature | 150 ± 0.2 K |
Ambient diffraction temperature | 150 ± 0.2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.082 |
Residual factor for significantly intense reflections | 0.07 |
Weighted residual factors for significantly intense reflections | 0.201 |
Weighted residual factors for all reflections included in the refinement | 0.211 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CU-Kα |
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/4082952.html
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Users of the data should acknowledge the original authors of the
structural data.