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Information card for entry 7151051
Preview
| Coordinates | 7151051.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H33 N O4 |
|---|---|
| Calculated formula | C24 H33 N O4 |
| SMILES | Oc1c2c(OC)ccc1NC(=O)C(=CC=CCC(O)CCCCCC=C(C2)C)C |
| Title of publication | Synthetic ansamycins prepared by a ring-expanding Claisen rearrangement. Synthesis and biological evaluation of ring and conformational analogues of the Hsp90 molecular chaperone inhibitor geldanamycin. |
| Authors of publication | McErlean, Christopher S. P.; Proisy, Nicolas; Davis, Christopher J.; Boland, Nicola A.; Sharp, Swee Y.; Boxall, Kathy; Slawin, Alexandra M. Z.; Workman, Paul; Moody, Christopher J. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2007 |
| Journal volume | 5 |
| Journal issue | 3 |
| Pages of publication | 531 - 546 |
| a | 8.8832 ± 0.0012 Å |
| b | 10.3813 ± 0.0015 Å |
| c | 12.0879 ± 0.0017 Å |
| α | 81.631 ± 0.002° |
| β | 81.67 ± 0.002° |
| γ | 78.225 ± 0.002° |
| Cell volume | 1072 ± 0.3 Å3 |
| Cell temperature | 125 ± 2 K |
| Ambient diffraction temperature | 125 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0834 |
| Residual factor for significantly intense reflections | 0.0681 |
| Weighted residual factors for significantly intense reflections | 0.1683 |
| Weighted residual factors for all reflections included in the refinement | 0.1813 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7151051.html
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Users of the data should acknowledge the original authors of the
structural data.