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Information card for entry 1506107
Preview
| Coordinates | 1506107.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C19 H24 N2 O2 |
|---|---|
| Calculated formula | C19 H24 N2 O2 |
| SMILES | O=C(N[C@@H](C)c1ccccc1)[C@H]([C@H](O)C)[C@@H](N)c1ccccc1 |
| Title of publication | Enantioselective nitrone cycloadditions of alpha,beta-unsaturated 2-acyl imidazoles catalyzed by bis(oxazolinyl)pyridine-cerium(IV) triflate complexes. |
| Authors of publication | Evans, David A.; Song, Hyun-Ji; Fandrick, Keith R. |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 15 |
| Pages of publication | 3351 - 3354 |
| a | 9.6027 ± 0.0014 Å |
| b | 10.0645 ± 0.0016 Å |
| c | 11.093 ± 0.0017 Å |
| α | 110.209 ± 0.003° |
| β | 109.26 ± 0.003° |
| γ | 101.701 ± 0.003° |
| Cell volume | 887 ± 0.2 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0576 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1158 |
| Weighted residual factors for all reflections included in the refinement | 0.122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| 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 |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506107.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506107.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506107.cif |
| 47998 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506107 via cif-deposit CGI script. |
1506107.cif |
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Users of the data should acknowledge the original authors of the
structural data.