Information card for entry 2220162
Chemical name |
<i>anti</i>-Tricyclo[4.2.1.1^2,5^]deca-3,7-diene-9-<i>endo</i>,10-<i>endo</i>- diol |
Formula |
C10 H12 O2 |
Calculated formula |
C10 H12 O2 |
SMILES |
O[C@@H]1[C@H]2C=C[C@@H]1[C@@H]1[C@@H]([C@H]2C=C1)O |
Title of publication |
<i>anti</i>-Tricyclo[4.2.1.1^2,5^]deca-3,7-diene-9-<i>endo</i>,10<i>-endo</i>-diol |
Authors of publication |
Harris, Andria D.; Baucom, Amy D.; Sierra, Maria del Rosario I. Amado; Jones, Daniel S.; Etzkorn, Markus |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2008 |
Journal volume |
64 |
Journal issue |
12 |
Pages of publication |
o2270 |
a |
10.373 ± 0.0014 Å |
b |
9.8494 ± 0.0014 Å |
c |
7.7128 ± 0.0011 Å |
α |
90° |
β |
91.85 ± 0.011° |
γ |
90° |
Cell volume |
787.59 ± 0.19 Å3 |
Cell temperature |
295 ± 2 K |
Number of distinct elements |
3 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for significantly intense reflections |
0.0394 |
Weighted residual factors for all reflections included in the refinement |
0.0995 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.079 |
Diffraction radiation wavelength |
1.54184 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2220162.html