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Information card for entry 7150625
Preview
| Coordinates | 7150625.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C18 H21 N3 O |
|---|---|
| Calculated formula | C18 H21 N3 O |
| SMILES | CC(C)(C)[C@@H]1N=C(OC1)c1ccccc1Nc1ccccn1 |
| Title of publication | The synthesis of new oxazoline-containing bifunctional catalysts and their application in the addition of diethylzinc to aldehydes |
| Authors of publication | Coeffard, Vincent; Müller-Bunz, Helge; Guiry, Patrick J. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 8 |
| Pages of publication | 1723 - 1734 |
| a | 6.1265 ± 0.0004 Å |
| b | 13.8082 ± 0.0009 Å |
| c | 19.2305 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1626.82 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0398 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0981 |
| Weighted residual factors for all reflections included in the refinement | 0.1009 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7150625.cif |
| 180292 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/06. |
7150625.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150625.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150625.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150625.cif |
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Users of the data should acknowledge the original authors of the
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