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Information card for entry 1518654
Preview
| Coordinates | 1518654.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H59 F3 O10 |
|---|---|
| Calculated formula | C42 H59 F3 O10 |
| SMILES | FC(F)(F)[C@](OC)(C(=O)O[C@@H]([C@H]([C@@H]1OC(=O)C[C@@]2(O[C@@](C(=O)[C@H]2CC)(C/C(=C/C1)C)C)O)C)[C@@H](C/C(=C/[C@@H]([C@@H](O)[C@@H](C(=O)CC)C)C)C)C)c1ccccc1 |
| Title of publication | Actinoallolides A-E, New Anti-trypanosomal Macrolides, Produced by an Endophytic Actinomycete, Actinoallomurus fulvus MK10-036. |
| Authors of publication | Inahashi, Yuki; Iwatsuki, Masato; Ishiyama, Aki; Matsumoto, Atsuko; Hirose, Tomoyasu; Oshita, Jun; Sunazuka, Toshiaki; Panbangred, Watanalai; Takahashi, Yoko; Kaiser, Marcel; Otoguro, Kazuhiko; O̅mura, Satoshi |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 4 |
| Pages of publication | 864 - 867 |
| a | 13.4566 ± 0.0003 Å |
| b | 8.18811 ± 0.00015 Å |
| c | 19.1862 ± 0.0004 Å |
| α | 90° |
| β | 100.629 ± 0.0007° |
| γ | 90° |
| Cell volume | 2077.74 ± 0.07 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0279 |
| Weighted residual factors for all reflections included in the refinement | 0.0702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1518654.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. |
1518654.cif |
| 132986 | 2015-03-04 | cif/ Updating files of 1518654 Original log message: Adding full bibliography for 1518654.cif. |
1518654.cif |
| 130877 | 2015-02-04 | cif/ Adding structures of 1518654 via cif-deposit CGI script. |
1518654.cif |
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