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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 |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288505 (current) | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
4082952.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4082952.cif |
| 112791 | 2014-05-04 | cif/ Updating files of 4082952, 4082953, 4082954 Original log message: Adding full bibliography for 4082952--4082954.cif. |
4082952.cif |
| 109176 | 2014-04-09 | cif/ Adding structures of 4082952 via cif-deposit CGI script. |
4082952.cif |
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Users of the data should acknowledge the original authors of the
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