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Information card for entry 2228689
Preview
| Coordinates | 2228689.cif |
|---|---|
| Structure factors | 2228689.hkl |
| Original IUCr paper | HTML |
| Chemical name | (1<i>S</i>,3a<i>S</i>,4a<i>R</i>,4b<i>S</i>,5<i>R</i>,6a<i>R</i>,10a<i>R</i>, 10b<i>R</i>,12a<i>S</i>)-1-(furan-3-yl)-5-hydroxy-4b,7,7,10a,12a-pentamethyl- 4b,5,6,6a,7,10a,10b,11,12,12a-decahydronaphtho[2,1-<i>f</i>]oxireno[2,3- <i>d</i>]isochromene-3,8(1<i>H</i>,3a<i>H</i>)-dione |
|---|---|
| Formula | C26 H32 O6 |
| Calculated formula | C26 H32 O6 |
| SMILES | O=C1O[C@@H](c2ccoc2)[C@]2([C@]3([C@@H]1O3)[C@]1(C)[C@H](O)C[C@@H]3[C@]([C@H]1CC2)(C)C=CC(=O)C3(C)C)C |
| Title of publication | 7-Deacetylgedunin |
| Authors of publication | Ravangpai, Warin; Theerawattananond, Thapong; Pengpreecha, Somjai; Muangsin, Nongnuj; Pudhom, Khanitha |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | o158 - o159 |
| a | 12.3642 ± 0.0004 Å |
| b | 12.8445 ± 0.0005 Å |
| c | 43.5584 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6917.6 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 significantly intense reflections | 0.0677 |
| Weighted residual factors for all reflections included in the refinement | 0.2115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181207 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/86. |
2228689.cif 2228689.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228689.cif 2228689.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228689.cif 2228689.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2228689.cif 2228689.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228689.cif 2228689.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228689.cif 2228689.hkl |
| 9821 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228689 via cif-deposit CGI script. |
2228689.cif |
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Users of the data should acknowledge the original authors of the
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