Information card for entry 2015860
Common name |
6-aza-2'-deoxyuridine |
Chemical name |
2-(2-deoxy-β-D-erythro-pentofuranosyl)-1,2,4-triazin-3,5(2H,4H)-dione |
Formula |
C8 H11 N3 O5 |
Calculated formula |
C8 H11 N3 O5 |
SMILES |
N1(C(=O)NC(=O)C=N1)[C@H]1C[C@H](O)[C@H](O1)CO |
Title of publication |
6-Aza-2'-deoxyuridine and <i>N</i>^3^-anisoyl-6-aza-2'-deoxyuridine |
Authors of publication |
Seela, Frank; Chittepu, Padmaja; He, Yang; Eickmeier, Henning; Reuter, Hans |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
3 |
Pages of publication |
o173 - o176 |
a |
7.8817 ± 0.0017 Å |
b |
8.6832 ± 0.0011 Å |
c |
14.5715 ± 0.0015 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
997.2 ± 0.3 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
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 |
0.0554 |
Residual factor for significantly intense reflections |
0.0449 |
Weighted residual factors for significantly intense reflections |
0.1153 |
Weighted residual factors for all reflections included in the refinement |
0.1212 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.071 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2015860.html