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Information card for entry 4027186
Preview
| Coordinates | 4027186.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H30 O4 |
|---|---|
| Calculated formula | C23 H30 O4 |
| SMILES | O([C@H]1[C@]2([C@@H]([C@H](O)[C@@H](CC2)C(=C)C)C(=C)CC1)COC)C(=O)c1ccccc1.O([C@@H]1[C@@]2([C@H]([C@@H](O)[C@H](CC2)C(=C)C)C(=C)CC1)COC)C(=O)c1ccccc1 |
| Title of publication | A Convergent and Stereocontrolled Cycloaddition Strategy toward Eudesmane Sesquiterpenoid: Total Synthesis of (\±)-6β,14-Epoxyeudesm-4(15)-en-1β-ol |
| Authors of publication | Cui-Cui Wang; Wei-Dong Z. Li |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2012 |
| Journal volume | 77 |
| Pages of publication | 4217 - 4225 |
| a | 14.6915 ± 0.0018 Å |
| b | 12.6135 ± 0.0016 Å |
| c | 11.3554 ± 0.0014 Å |
| α | 90° |
| β | 104.313 ± 0.001° |
| γ | 90° |
| Cell volume | 2039 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0746 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.1112 |
| Weighted residual factors for all reflections included in the refinement | 0.1283 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
4027186.cif |
| 178450 | 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 4/02/71. |
4027186.cif |
| 81254 | 2013-04-14 | cif/ Adding structures of 4027186 via cif-deposit CGI script. |
4027186.cif |
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Users of the data should acknowledge the original authors of the
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