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Information card for entry 4067286
Preview
| Coordinates | 4067286.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Tricarbonyl-η4-[(Z)-5-ethylidene-4-methylene-3-phenyl-1,3 -oxazolidin-2-one]iron(0) |
|---|---|
| Formula | C15 H11 Fe N O5 |
| Calculated formula | C15 H11 Fe N O5 |
| SMILES | C1(=O)N([C]23[C]4(=[CH](C)[Fe]34([CH2]=2)(C#[O])(C#[O])C#[O])O1)c1ccccc1 |
| Title of publication | Synthesis and Reactivity of η4-Diene-Fe(CO)3Complexes fromexo-2-Oxazolidinone Dienes. A Facile Generation of Stable Conjugated Enol-Enamido Species |
| Authors of publication | Ortega-Jiménez, Fernando; Benavides, Adriana; Delgado, Francisco; Jiménez-Vázquez, Hugo A.; Tamariz, Joaquín |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 1 |
| Pages of publication | 149 |
| a | 8.957 ± 0.0006 Å |
| b | 13.1959 ± 0.001 Å |
| c | 13.1775 ± 0.0008 Å |
| α | 90° |
| β | 108.289 ± 0.005° |
| γ | 90° |
| Cell volume | 1478.85 ± 0.18 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0472 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.075 |
| Weighted residual factors for all reflections included in the refinement | 0.0811 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194584 (current) | 2017-03-29 | cif/4/06/72/ (antanas@echidna.ibt.lt) Replacing the "\H" substring with the "\h" substring in the _chemical_name_systematic data item value in entries 4067285, 4067286, 4067287. |
4067286.cif |
| 178563 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/72. |
4067286.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067286.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067286.cif |
| 34148 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067285, 4067286, 4067287, 4067288 via cif-deposit CGI script. |
4067286.cif |
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