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Information card for entry 2226088
Preview
| Coordinates | 2226088.cif |
|---|---|
| Structure factors | 2226088.hkl |
| Original IUCr paper | HTML |
| Common name | Xyloccensin E or phragmalin triacetate |
|---|---|
| Chemical name | (1<i>R</i>,4a<i>R</i>,4b<i>R</i>,6<i>S</i>,7a<i>R</i>, 8<i>S</i>,9<i>S</i>,10<i>R</i>,11<i>S</i>,11a<i>R</i>,11b<i>S</i>,13a<i>R</i>, 16<i>R</i>)-methyl 8,9,16-triacetoxy-1-(3-furyl)decahydro-6,10,11a,13a-tetramethyl-3-oxo- 8<i>H</i>-6,11b-epoxy-4b,8:7a,10-dimethano-1<i>H</i>- benzopyrano[5,6-<i>d</i>][1,3]benzodioxepine-11-acetate |
| Formula | C35 H42 O14 |
| Calculated formula | C35 H42 O14 |
| Title of publication | Xyloccensin E |
| Authors of publication | Sarigaputi, Chanin; Teerawatananond, Thapong; Pengpreecha, Somchai; Muangsin, Nongnuj; Pudhom, Khanitha |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 6 |
| Pages of publication | o1348 - o1349 |
| a | 17.7635 ± 0.0005 Å |
| b | 17.7635 ± 0.0005 Å |
| c | 19.6294 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5364.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 169 |
| Hermann-Mauguin space group symbol | P 61 |
| Hall space group symbol | P 61 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for all reflections included in the refinement | 0.1295 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181181 (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 2/22/60. |
2226088.cif 2226088.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. |
2226088.cif 2226088.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2226088.cif 2226088.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. | 2226088.cif 2226088.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2226088.cif 2226088.hkl |
| 1452 | 2010-10-08 | hkl/ Adding Fobs data for the recent IUCr structure deposition. NB. This revision is recomitted anew after it appeared that in the original COD repository revision file '1452' was corrupt. |
2226088.cif 2226088.hkl |
| 1284 | 2010-08-08 | cif/2/ Adding the processed IUCr 2010 June and July CIFs. |
2226088.cif |
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Users of the data should acknowledge the original authors of the
structural data.