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Information card for entry 1501801
Preview
| Coordinates | 1501801.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | (1R,3E,7S,8S,11S,12S)-7,8-epoxy-14-oxo-3,18-dolabelladiene |
|---|---|
| Chemical name | (1aS,4E,6aR,9S,9aS,11aS)-9-isopropenyl-4,6a,11a-trimethyl-2,3,6,6a,8,9,9a, 10,11,11a-decahydrocyclopenta[5,6]cycloundeca[1,2-b]oxiren-7(1aH)-one |
| Formula | C20 H30 O2 |
| Calculated formula | C20 H30 O2 |
| SMILES | [C@]12(C/C=C(/CC[C@H]3[C@@](CC[C@H]1[C@H](CC2=O)C(=C)C)(C)O3)C)C |
| Title of publication | Dolabellanes with antibacterial activity from the brown alga Dilophus spiralis. |
| Authors of publication | Ioannou, Efstathia; Quesada, Antonio; Rahman, M. Mukhlesur; Gibbons, Simon; Vagias, Constantinos; Roussis, Vassilios |
| Journal of publication | Journal of natural products |
| Year of publication | 2011 |
| Journal volume | 74 |
| Journal issue | 2 |
| Pages of publication | 213 - 222 |
| a | 7.7877 ± 0.0011 Å |
| b | 13.9979 ± 0.0013 Å |
| c | 15.583 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1698.7 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0722 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.0939 |
| Weighted residual factors for all reflections included in the refinement | 0.108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1501801.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1501801.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501801.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501801.cif |
| 35155 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501801 via cif-deposit CGI script. |
1501801.cif |
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Users of the data should acknowledge the original authors of the
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