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Information card for entry 7150650
Preview
| Coordinates | 7150650.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H28 O3 |
|---|---|
| Calculated formula | C22 H28 O3 |
| SMILES | C1=CC2(Oc3cc(c(OCC(=CCCC(=CCC2)C)C)cc13)OC)C |
| Title of publication | Synthesis of (±)-likonide B (smenochromene D) using a regioselective Claisen rearrangement, separation of the enantiomers and stereochemical assignment |
| Authors of publication | Bruder, Marjorie; Smith, Stephen J.; Blake, Alexander J.; Moody, Christopher J. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 10 |
| Pages of publication | 2127 - 2134 |
| a | 12.3277 ± 0.0008 Å |
| b | 9.6466 ± 0.0007 Å |
| c | 15.918 ± 0.0011 Å |
| α | 90° |
| β | 103.091 ± 0.002° |
| γ | 90° |
| Cell volume | 1843.8 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0481 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.12 |
| Weighted residual factors for all reflections included in the refinement | 0.124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180292 (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 7/15/06. |
7150650.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150650.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150650.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150650.cif |
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Users of the data should acknowledge the original authors of the
structural data.