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Information card for entry 1506236
Preview
| Coordinates | 1506236.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | N-((Z)-1-((2R,3S)-3-hydroxy-3-methyl-2- phenylcyclohexylidene)ethyl)pivalamide |
|---|---|
| Formula | C20 H29 N O2 |
| Calculated formula | C20 H29 N O2 |
| Title of publication | Oxonitriles: a grignard addition-acylation route to enamides. |
| Authors of publication | Fleming, Fraser F.; Wei, Guoqing; Zhang, Zhiyu; Steward, Omar W. |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 21 |
| Pages of publication | 4903 - 4906 |
| a | 12.7515 ± 0.0003 Å |
| b | 15.6796 ± 0.0003 Å |
| c | 19.48 ± 0.0004 Å |
| α | 90° |
| β | 104.275 ± 0.001° |
| γ | 90° |
| Cell volume | 3774.54 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0832 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1136 |
| Weighted residual factors for all reflections included in the refinement | 0.132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193981 (current) | 2017-03-05 | cod/ (antanas@kurmis) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5006). The correction was mainly focused on removing misspelt versions of the '_geom_*' data items. |
1506236.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1506236.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506236.cif |
| 48110 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506236 via cif-deposit CGI script. |
1506236.cif |
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Users of the data should acknowledge the original authors of the
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