Information card for entry 2233431
Chemical name |
4-(3,5-Dioxo-10-oxa-4-azatricyclo[5.2.1.0^2,6^]decan-4-yl)-10-oxa-4- azatricyclo[5.2.1.0^2,6^]decane-3,5-dione |
Formula |
C16 H16 N2 O6 |
Calculated formula |
C16 H16 N2 O6 |
SMILES |
O1[C@@H]2[C@@H]3C(=O)N(N4C(=O)[C@H]5[C@H]([C@H]6O[C@@H]5CC6)C4=O)C(=O)[C@@H]3[C@H]1CC2 |
Title of publication |
4-(3,5-Dioxo-10-oxa-4-azatricyclo[5.2.1.0^2,6^]decan-4-yl)-10-oxa-4-azatricyclo[5.2.1.0^2,6^]decane-3,5-dione |
Authors of publication |
Wang, Peng-Peng; Lin, Qiu-Yue; Zhang, Fan |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
2 |
Pages of publication |
o381 |
a |
10.2342 ± 0.0006 Å |
b |
10.5673 ± 0.0006 Å |
c |
27.3485 ± 0.0017 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2957.7 ± 0.3 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
4 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for significantly intense reflections |
0.0825 |
Weighted residual factors for significantly intense reflections |
0.1879 |
Weighted residual factors for all reflections included in the refinement |
0.224 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.069 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2233431.html