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Information card for entry 7151036
Preview
| Coordinates | 7151036.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C27 H46 O2 |
|---|---|
| Calculated formula | C27 H46 O2 |
| SMILES | OC[C@H](CCC[C@H]([C@@H]1[C@]2(CC[C@H]3C(=CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]2CC1)C)C)C |
| Title of publication | Stereoselective synthesis of the hormonally active (25S)-Δ7-dafachronic acid, (25S)-Δ4-dafachronic acid, (25S)-dafachronic acid, and (25S)-cholestenoic acid |
| Authors of publication | Martin, René; Däbritz, Frank; Entchev, Eugeni V.; Kurzchalia, Teymuras V.; Knölker, Hans-Joachim |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2008 |
| Journal volume | 6 |
| Journal issue | 23 |
| Pages of publication | 4293 - 4295 |
| a | 34.899 ± 0.007 Å |
| b | 9.3865 ± 0.0019 Å |
| c | 7.5 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2456.8 ± 0.9 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.0706 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.1065 |
| Weighted residual factors for all reflections included in the refinement | 0.1172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| 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. |
7151036.cif |
| 180296 | 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 7/15/10. |
7151036.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151036.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151036.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7151036.cif |
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