Information card for entry 2211980
| Chemical name |
Diethyl 6-(2-hydroxyethyl)-1,4-dioxo-2,2a,3,4,6,7-hexahydro-1H,5H- 2,3,4a,6,7a-pentaazacyclopenta[cd]indene-2a,7b-dicarboxylate |
| Formula |
C14 H21 N5 O7 |
| Calculated formula |
C14 H21 N5 O7 |
| SMILES |
OCCN1CN2C(=O)NC3(C2(N(C1)C(=O)N3)C(=O)OCC)C(=O)OCC |
| Title of publication |
Diethyl 6-(2-hydroxyethyl)-1,4-dioxo-2,2a,3,4,6,7-hexahydro-1<i>H</i>,5<i>H</i>-2,3,4a,6,7a-pentaazacyclopenta[<i>cd</i>]indene-2a,7b-dicarboxylate |
| Authors of publication |
Li, Yi-Tao; Li, Juan; Wen, Li-Li |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2007 |
| Journal volume |
63 |
| Journal issue |
1 |
| Pages of publication |
o287 - o288 |
| a |
17.867 ± 0.004 Å |
| b |
11.871 ± 0.002 Å |
| c |
8.8912 ± 0.0017 Å |
| α |
90° |
| β |
115.793 ± 0.003° |
| γ |
90° |
| Cell volume |
1697.9 ± 0.6 Å3 |
| Cell temperature |
292 ± 2 K |
| Ambient diffraction temperature |
292 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
9 |
| Hermann-Mauguin space group symbol |
C 1 c 1 |
| Hall space group symbol |
C -2yc |
| Residual factor for all reflections |
0.072 |
| Residual factor for significantly intense reflections |
0.05 |
| Weighted residual factors for significantly intense reflections |
0.115 |
| Weighted residual factors for all reflections included in the refinement |
0.152 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.063 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2211980.html
