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Information card for entry 4513874
Preview
| Coordinates | 4513874.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H79 F6 N Na O13 P |
|---|---|
| Calculated formula | C46 H79 F6 N Na O13 P |
| SMILES | C12=[O][Na]34([OH]N2)[O]=C([C@H]([C@H]([C@@H]([C@H]2[C@H](CC[C@H]([C@H]1CC)O2)C)C)O)C)[C@@H]([C@@H]1[C@H](C[C@H]([C@@]2(C=C[C@H]([C@]5(CC[C@]([C@H]6CC[C@@]([C@H](C)[O]46)(CC)O)(C)[O]35)O2)O)O1)C)C)CC.[P](F)(F)(F)(F)(F)[F-].O=C(OCC)C |
| Title of publication | Salinomycin Hydroxamic Acids: Synthesis, Structure, and Biological Activity of Polyether Ionophore Hybrids. |
| Authors of publication | Borgström, Björn; Huang, Xiaoli; Chygorin, Eduard; Oredsson, Stina; Strand, Daniel |
| Journal of publication | ACS medicinal chemistry letters |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 6 |
| Pages of publication | 635 - 640 |
| a | 14.4679 ± 0.0011 Å |
| b | 15.6477 ± 0.0011 Å |
| c | 23.5422 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5329.7 ± 0.7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.3259 |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for significantly intense reflections | 0.0797 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.715 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184926 (current) | 2016-08-05 | cif/ Updating files of 4513874, 4513875, 4513876 Original log message: Adding full bibliography for 4513874--4513876.cif. |
4513874.cif |
| 183563 | 2016-06-17 | cif/ Updating files of 4513874, 4513875, 4513876 Original log message: Adding full bibliography for 4513874--4513876.cif. |
4513874.cif |
| 182403 | 2016-04-30 | cif/ Adding structures of 4513874, 4513875, 4513876 via cif-deposit CGI script. |
4513874.cif |
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Users of the data should acknowledge the original authors of the
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