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Information card for entry 4024718
Preview
| Coordinates | 4024718.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H22 O3 Si |
|---|---|
| Calculated formula | C22 H22 O3 Si |
| SMILES | [C@H]1(C=Cc2coc3C(=O)c4c5CCC(=O)c5ccc4[C@]1(c23)C)[Si](C)(C)C.[C@@H]1(C=Cc2coc3C(=O)c4c5CCC(=O)c5ccc4[C@@]1(c23)C)[Si](C)(C)C |
| Title of publication | Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone |
| Authors of publication | Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2009 |
| Journal volume | 74 |
| Pages of publication | 5429 - 5439 |
| a | 7.809 ± 0.0005 Å |
| b | 21.1057 ± 0.0012 Å |
| c | 12.498 ± 0.0007 Å |
| α | 90° |
| β | 102.649 ± 0.001° |
| γ | 90° |
| Cell volume | 2009.9 ± 0.2 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 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 | 0.0759 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1291 |
| Weighted residual factors for all reflections included in the refinement | 0.1326 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.274 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178426 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/47. |
4024718.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4024718.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4024718.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4024718.cif |
| 948 | 2010-01-19 | cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition. |
4024718.cif |
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