Information card for entry 1515456
| Common name |
Hbt6p |
| Formula |
C14 H14 N2 O3 S |
| Calculated formula |
C14 H14 N2 O3 S |
| SMILES |
O=c1ccn(c(c1O)C)c1ccc2c(c1)scn2.OC |
| Title of publication |
N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy |
| Authors of publication |
Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris |
| Journal of publication |
Chemical Science |
| Year of publication |
2011 |
| Journal volume |
2 |
| Journal issue |
4 |
| Pages of publication |
642 |
| a |
11.368 ± 0.002 Å |
| b |
11.457 ± 0.002 Å |
| c |
12.809 ± 0.002 Å |
| α |
67.679 ± 0.01° |
| β |
76.787 ± 0.011° |
| γ |
74.165 ± 0.011° |
| Cell volume |
1470 ± 0.4 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0581 |
| Residual factor for significantly intense reflections |
0.0386 |
| Weighted residual factors for significantly intense reflections |
0.0864 |
| Weighted residual factors for all reflections included in the refinement |
0.0947 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.035 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1515456.html
