Information card for entry 2221346
Chemical name |
<i>anti</i>-Tricyclo[4.2.1.1^2,5^]deca-3,7-diene-9,10-dione |
Formula |
C10 H8 O2 |
Calculated formula |
C10 H8 O2 |
SMILES |
O=C1[C@@H]2C=C[C@H]1[C@H]1C(=O)[C@@H]2C=C1 |
Title of publication |
<i>anti</i>-Tricyclo[4.2.1.1^2,5^]deca-3,7-diene-9,10-dione |
Authors of publication |
Gidaly, Matthew P.; Harris, Andria D.; Amado-Sierra, Maria del Rosario I.; Jones, Daniel S.; Etzkorn, Markus |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
4 |
Pages of publication |
o729 |
a |
6.4458 ± 0.0007 Å |
b |
6.612 ± 0.0006 Å |
c |
8.9758 ± 0.0006 Å |
α |
81.671 ± 0.008° |
β |
79.176 ± 0.01° |
γ |
84.745 ± 0.008° |
Cell volume |
370.96 ± 0.06 Å3 |
Cell temperature |
295 ± 2 K |
Number of distinct elements |
3 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for significantly intense reflections |
0.0372 |
Weighted residual factors for all reflections included in the refinement |
0.0916 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.119 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2221346.html