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Information card for entry 1504530
Preview
| Coordinates | 1504530.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C22 H11 Br Cl4 N2 O4 |
|---|---|
| Calculated formula | C22 H11 Br Cl4 N2 O4 |
| SMILES | Brc1c(n(c(Cl)c1Cl)c1c(Cl)c(Cl)[nH]c1C(=O)c1ccccc1O)C(=O)c1c(O)cccc1 |
| Title of publication | The marinopyrroles, antibiotics of an unprecedented structure class from a marine Streptomyces sp. |
| Authors of publication | Hughes, Chambers C.; Prieto-Davo, Alejandra; Jensen, Paul R.; Fenical, William |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 4 |
| Pages of publication | 629 - 631 |
| a | 8.6266 ± 0.0011 Å |
| b | 14.8226 ± 0.0019 Å |
| c | 17.985 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2299.7 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0567 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1236 |
| Weighted residual factors for all reflections included in the refinement | 0.1276 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1504530.cif |
| 201954 | 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. |
1504530.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. |
1504530.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504530.cif |
| 42145 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504530 via cif-deposit CGI script. |
1504530.cif |
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Users of the data should acknowledge the original authors of the
structural data.