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Information card for entry 4512581
Preview
| Coordinates | 4512581.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H28 O6 |
|---|---|
| Calculated formula | C21 H28 O6 |
| SMILES | O(C)c1c(OC)c(O)c2CCCCC(O)CCc3ccc(O)c(c1c2)c3.O |
| Title of publication | Synthesis, stereochemical analysis, and derivatization of myricanol provide new probes that promote autophagic tau clearance. |
| Authors of publication | Martin, Mackenzie D.; Calcul, Laurent; Smith, Courtney; Jinwal, Umesh K.; Fontaine, Sarah N.; Darling, April; Seeley, Kent; Wojtas, Lukasz; Narayan, Malathi; Gestwicki, Jason E.; Smith, Garry R.; Reitz, Allen B.; Baker, Bill J.; Dickey, Chad A. |
| Journal of publication | ACS chemical biology |
| Year of publication | 2015 |
| Journal volume | 10 |
| Journal issue | 4 |
| Pages of publication | 1099 - 1109 |
| a | 10.2863 ± 0.0007 Å |
| b | 18.1078 ± 0.0013 Å |
| c | 10.1523 ± 0.0007 Å |
| α | 90° |
| β | 94.602 ± 0.004° |
| γ | 90° |
| Cell volume | 1884.9 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0571 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0877 |
| Weighted residual factors for all reflections included in the refinement | 0.0948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179672 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/25. |
4512581.cif |
| 138032 | 2015-06-05 | cif/ Updating files of 4512581, 4512582, 4512583 Original log message: Adding full bibliography for 4512581--4512583.cif. |
4512581.cif |
| 130337 | 2015-02-04 | cif/ Adding structures of 4512581 via cif-deposit CGI script. |
4512581.cif |
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Users of the data should acknowledge the original authors of the
structural data.