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Information card for entry 4079207
Preview
| Coordinates | 4079207.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | 6a |
|---|---|
| Chemical name | 3-ethoxy-2,2,5-triphenyl-2H-pyrrole |
| Formula | C24 H21 N O |
| Calculated formula | C24 H21 N O |
| SMILES | O(C1=CC(=NC1(c1ccccc1)c1ccccc1)c1ccccc1)CC |
| Title of publication | Addition of Oxime Derivatives to Alkynyl Fischer Carbene Complexes |
| Authors of publication | González, Héctor F.; Blanco-Lomas, Marina; Rivado-Casas, Laura; Rodr\?íguez, Miguel A.; Campos, Pedro J.; Sampedro, Diego |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 18 |
| Pages of publication | 6572 |
| a | 8.744 ± 0.004 Å |
| b | 14.245 ± 0.01 Å |
| c | 14.976 ± 0.01 Å |
| α | 90° |
| β | 93.3 ± 0.04° |
| γ | 90° |
| Cell volume | 1862 ± 2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0709 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1499 |
| Weighted residual factors for all reflections included in the refinement | 0.1646 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4079207.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4079207.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079207.cif |
| 72356 | 2013-01-21 | cif/ Adding structures of 4079207, 4079208, 4079209, 4079210, 4079211 via cif-deposit CGI script. |
4079207.cif |
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Users of the data should acknowledge the original authors of the
structural data.