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Information card for entry 4513875
Preview
| Coordinates | 4513875.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H73 N O11 |
|---|---|
| Calculated formula | C43 H73 N O11 |
| SMILES | C(=O)([C@@H]([C@H]1CC[C@@H]([C@H]([C@H]([C@@H]([C@@H](C(=O)[C@@H]([C@@H]2[C@H](C[C@H]([C@@]3(C=C[C@H]([C@]4(CC[C@]([C@H]5CC[C@@]([C@H](C)O5)(CC)O)(C)O4)O3)O)O2)C)C)CC)C)O)C)O1)C)CC)NOC |
| 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 | 12.678 ± 0.001 Å |
| b | 18.461 ± 0.002 Å |
| c | 18.603 ± 0.001 Å |
| α | 90° |
| β | 101.706 ± 0.007° |
| γ | 90° |
| Cell volume | 4263.4 ± 0.6 Å3 |
| Cell temperature | 105 ± 2 K |
| Ambient diffraction temperature | 105 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1631 |
| Residual factor for significantly intense reflections | 0.0638 |
| Weighted residual factors for significantly intense reflections | 0.0859 |
| Weighted residual factors for all reflections included in the refinement | 0.1029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.755 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190287 (current) | 2017-01-09 | cif/4: Fixing Z values and formulae |
4513875.cif |
| 184926 | 2016-08-05 | cif/ Updating files of 4513874, 4513875, 4513876 Original log message: Adding full bibliography for 4513874--4513876.cif. |
4513875.cif |
| 183563 | 2016-06-17 | cif/ Updating files of 4513874, 4513875, 4513876 Original log message: Adding full bibliography for 4513874--4513876.cif. |
4513875.cif |
| 182403 | 2016-04-30 | cif/ Adding structures of 4513874, 4513875, 4513876 via cif-deposit CGI script. |
4513875.cif |
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Users of the data should acknowledge the original authors of the
structural data.