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Information card for entry 7151742
Preview
| Coordinates | 7151742.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C14 H16 O4 |
|---|---|
| Calculated formula | C14 H16 O4 |
| SMILES | O=C1O[C@H]2[C@H](O[C@@H](C2)COCc2ccccc2)C1 |
| Title of publication | Total synthesis of C19 lipid diols containing a 2,5-disubstituted-3-oxygenated tetrahydrofuran. |
| Authors of publication | Nesbitt, Caroline L.; McErlean, Christopher S. P. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 7 |
| Pages of publication | 2198 - 2208 |
| a | 5.4822 ± 0.0004 Å |
| b | 8.8469 ± 0.0006 Å |
| c | 24.9538 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1210.27 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0334 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.0895 |
| Weighted residual factors for all reflections included in the refinement | 0.0908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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. |
7151742.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7151742.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151742.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151742.cif |
| 21249 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151742 via cif-deposit CGI script. |
7151742.cif |
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Users of the data should acknowledge the original authors of the
structural data.