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Information card for entry 7152465
Preview
| Coordinates | 7152465.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Marek-88 ( Tom) |
|---|---|
| Formula | C17 H24 O4 |
| Calculated formula | C17 H24 O4 |
| SMILES | O=C(O)c1ccc([C@@](OC)(C)[C@@](OCC)(CC)C=C)cc1.O=C(O)c1ccc([C@](OC)(C)[C@](OCC)(CC)C=C)cc1 |
| Title of publication | Convergent diastereoselective preparation of adjacent quaternary stereocenters in an acyclic system. |
| Authors of publication | Mejuch, Tom; Dutta, Bishnu; Botoshansky, Mark; Marek, Ilan |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2012 |
| Journal volume | 10 |
| Journal issue | 30 |
| Pages of publication | 5803 - 5806 |
| a | 8.032 ± 0.001 Å |
| b | 9.304 ± 0.001 Å |
| c | 11.542 ± 0.001 Å |
| α | 103.644 ± 0.004° |
| β | 92.877 ± 0.004° |
| γ | 97.279 ± 0.003° |
| Cell volume | 828.56 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0773 |
| Residual factor for significantly intense reflections | 0.0599 |
| Weighted residual factors for significantly intense reflections | 0.1827 |
| Weighted residual factors for all reflections included in the refinement | 0.1958 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7152465.cif |
| 180310 | 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 7/15/24. |
7152465.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7152465.cif |
| 64391 | 2012-08-12 | cif/ Adding structures of 7152464, 7152465 via cif-deposit CGI script. |
7152465.cif |
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Users of the data should acknowledge the original authors of the
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