Information card for entry 2311180
| Chemical name |
2-(3,5-Dioxo-4-azatricyclo[5.2.1.0^2,6^]dec-8-en-4-yl)acetic acid |
| Formula |
C11 H11 N O4 |
| Calculated formula |
C11 H11 N O4 |
| SMILES |
OC(=O)CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2C=C1 |
| Title of publication |
2-(3,5-Dioxo-4-aza-tri-cyclo-[5.2.1.0(2,6)]dec-8-en-4-yl)acetic acid. |
| Authors of publication |
Akkurt, Mehmet; Jarrahpour, Aliasghar; Shirvani, Pouria; Tahir, Muhammad Nawaz |
| Journal of publication |
Acta crystallographica. Section E, Structure reports online |
| Year of publication |
2013 |
| Journal volume |
69 |
| Journal issue |
Pt 9 |
| Pages of publication |
o1404 |
| a |
6.506 ± 0.0003 Å |
| b |
11.8417 ± 0.0004 Å |
| c |
14.1794 ± 0.0005 Å |
| α |
104.385 ± 0.002° |
| β |
97.905 ± 0.002° |
| γ |
99.549 ± 0.002° |
| Cell volume |
1025.07 ± 0.07 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.05 |
| Residual factor for significantly intense reflections |
0.04 |
| Weighted residual factors for significantly intense reflections |
0.099 |
| Weighted residual factors for all reflections included in the refinement |
0.1065 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.033 |
| 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/2311180.html
