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Information card for entry 4087518
Preview
| Coordinates | 4087518.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H52 U |
|---|---|
| Calculated formula | C40 H52 U |
| SMILES | [U](Cc1ccc(C(C)C)cc1)(Cc1ccc(cc1)C(C)C)(Cc1ccc(cc1)C(C)C)Cc1ccc(cc1)C(C)C |
| Title of publication | New Benzylpotassium Reagents and Their Utility for the Synthesis of Homoleptic Uranium(IV) Benzyl Derivatives |
| Authors of publication | Johnson, Sara A.; Kiernicki, John J.; Fanwick, Phillip E.; Bart, Suzanne C. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 12 |
| Pages of publication | 2889 |
| a | 13.7754 ± 0.0004 Å |
| b | 13.7754 ± 0.0004 Å |
| c | 9.2246 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1750.48 ± 0.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 81 |
| Hermann-Mauguin space group symbol | P -4 |
| Hall space group symbol | P -4 |
| Residual factor for all reflections | 0.0576 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.1231 |
| Weighted residual factors for all reflections included in the refinement | 0.1331 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236833 (current) | 2019-11-24 | cif/ Adding structures of 4087518 via cif-deposit CGI script. |
4087518.cif |
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Users of the data should acknowledge the original authors of the
structural data.