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Information card for entry 7150565
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| Coordinates | 7150565.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H44 O2 |
|---|---|
| Calculated formula | C27 H44 O2 |
| SMILES | O[C@@H]1CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CCC1=C3CC[C@@]1(C)[C@H](C)CCC[C@@H](C)CO |
| Title of publication | Synthesis and biological activity of the (25R)-cholesten-26-oic acids—ligands for the hormonal receptor DAF-12 in Caenorhabditis elegans |
| Authors of publication | Martin, René; Schmidt, Arndt W.; Theumer, Gabriele; Krause, Tilo; Entchev, Eugeni V.; Kurzchalia, Teymuras V.; Knölker, Hans-Joachim |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 5 |
| Pages of publication | 909 - 920 |
| a | 6.655 ± 0.001 Å |
| b | 21.318 ± 0.0011 Å |
| c | 17.247 ± 0.002 Å |
| α | 90° |
| β | 91.568 ± 0.011° |
| γ | 90° |
| Cell volume | 2445.9 ± 0.5 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0725 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1236 |
| Weighted residual factors for all reflections included in the refinement | 0.1401 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180291 (current) | 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 7/15/05. |
7150565.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150565.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150565.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150565.cif |
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