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Information card for entry 1552680
Preview
| Coordinates | 1552680.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H29 N O8 |
|---|---|
| Calculated formula | C24 H29 N O8 |
| SMILES | O1[C@@H]([C@@H](C(=O)c2c(O)c(cc3c2C(=O)C=C(N)C3=O)C)C)[C@@H]([C@@H]2OC(=O)[C@H]([C@H]1[C@@H]2C)C)C.O |
| 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 | 8.6893 ± 0.0003 Å |
| b | 15.2942 ± 0.0006 Å |
| c | 16.9431 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2251.67 ± 0.14 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.01 K |
| Number of distinct elements | 4 |
| 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 | 0.1298 |
| Residual factor for significantly intense reflections | 0.0715 |
| Weighted residual factors for significantly intense reflections | 0.1876 |
| Weighted residual factors for all reflections included in the refinement | 0.2318 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1552680.cif |
| 222205 | 2019-11-04 | cif/ Adding structures of 1552680 via cif-deposit CGI script. |
1552680.cif |
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Users of the data should acknowledge the original authors of the
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