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Information card for entry 1518416
Preview
| Coordinates | 1518416.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H35 N O14 |
|---|---|
| Calculated formula | C34 H35 N O14 |
| SMILES | O=C(C)Cc1cc2CCc3c(O)c4Oc5ccc(OC)c(O)c5C(=O)c4c(O)c3c2c(O)c1C(=O)N[C@@](C)(CO)C(=O)O.O=C(OCC)C |
| Title of publication | Pentacyclic antibiotics from a tidal mud flat-derived actinomycete. |
| Authors of publication | Moon, Kyuho; Chung, Beomkoo; Shin, Yoonho; Rheingold, Arnold L.; Moore, Curtis E.; Park, Sung Jean; Park, Sunghyouk; Lee, Sang Kook; Oh, Ki-Bong; Shin, Jongheon; Oh, Dong-Chan |
| Journal of publication | Journal of natural products |
| Year of publication | 2015 |
| Journal volume | 78 |
| Journal issue | 3 |
| Pages of publication | 524 - 529 |
| a | 7.4957 ± 0.0003 Å |
| b | 12.0298 ± 0.0004 Å |
| c | 17.8347 ± 0.0007 Å |
| α | 87.387 ± 0.0012° |
| β | 87.555 ± 0.0011° |
| γ | 74.708 ± 0.001° |
| Cell volume | 1548.85 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0334 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0882 |
| Weighted residual factors for all reflections included in the refinement | 0.0889 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 1.54178 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. |
1518416.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. |
1518416.cif |
| 134819 | 2015-04-04 | cif/ Updating files of 1518416 Original log message: Adding full bibliography for 1518416.cif. |
1518416.cif |
| 128653 | 2014-12-13 | cif/ Adding structures of 1518416 via cif-deposit CGI script. |
1518416.cif |
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