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Information card for entry 1552679
Preview
| Coordinates | 1552679.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H15 N O5 |
|---|---|
| Calculated formula | C18 H15 N O5 |
| SMILES | o1c(c2c(O)c(cc3c2C(=O)C=C(N)C3=O)C)c(cc(c1=O)C)C |
| Title of publication | Antibacterial Salinaphthoquinones from a Strain of the Bacterium <i>Salinispora arenicola</i> Recovered from the Marine Sediments of St. Peter and St. Paul Archipelago, Brazil. |
| Authors of publication | da Silva, Alison B.; Silveira, Edilberto R.; Wilke, Diego V.; Ferreira, Elhton G.; Costa-Lotufo, Leticia V; Torres, Maria Conceição M; Ayala, Alejandro Pedro; Costa, Wendell S.; Canuto, Kirley M.; de Araújo-Nobre, Alyne R; Araújo, Ana Jérsia; Filho, José Delano B Marinho; Pessoa, Otilia Deusdenia L. |
| Journal of publication | Journal of natural products |
| Year of publication | 2019 |
| Journal volume | 82 |
| Journal issue | 7 |
| Pages of publication | 1831 - 1838 |
| a | 13.8289 ± 0.0006 Å |
| b | 6.8772 ± 0.0003 Å |
| c | 16.9481 ± 0.0007 Å |
| α | 90° |
| β | 108.007 ± 0.002° |
| γ | 90° |
| Cell volume | 1532.88 ± 0.11 Å3 |
| Cell temperature | 301 ± 2 K |
| Ambient diffraction temperature | 300.78 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0624 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1132 |
| Weighted residual factors for all reflections included in the refinement | 0.1285 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1552679.cif |
| 222204 | 2019-11-04 | cif/ Adding structures of 1552679 via cif-deposit CGI script. |
1552679.cif |
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Users of the data should acknowledge the original authors of the
structural data.