Information card for entry 2232703
Chemical name |
5-<i>tert</i>-Butyl 3-ethyl 1-isopropyl-4,5,6,7-tetrahydro-1<i>H</i>- pyrazolo[4,3-<i>c</i>]pyridine-3,5-dicarboxylate |
Formula |
C17 H27 N3 O4 |
Calculated formula |
C17 H27 N3 O4 |
SMILES |
O=C(OCC)c1nn(c2c1CN(CC2)C(=O)OC(C)(C)C)C(C)C |
Title of publication |
5-<i>tert</i>-Butyl 3-ethyl 1-isopropyl-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridine-3,5-dicarboxylate |
Authors of publication |
Guo, Huan-Mei |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
12 |
Pages of publication |
o3239 |
a |
13.017 ± 0.003 Å |
b |
12.771 ± 0.003 Å |
c |
11.952 ± 0.003 Å |
α |
90° |
β |
115.76 ± 0.003° |
γ |
90° |
Cell volume |
1789.4 ± 0.7 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 2 K |
Number of distinct elements |
4 |
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 |
0.0747 |
Residual factor for significantly intense reflections |
0.0601 |
Weighted residual factors for significantly intense reflections |
0.1186 |
Weighted residual factors for all reflections included in the refinement |
0.1276 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.094 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2232703.html