Information card for entry 2009038
Chemical name |
4-Methylbicyclo[6.3.0]undecane-2,6-dione |
Formula |
C12 H18 O2 |
Calculated formula |
C12 H18 O2 |
SMILES |
O=C1C[C@H](CC(=O)C[C@H]2CCC[C@@H]12)C.O=C1C[C@@H](CC(=O)C[C@@H]2CCC[C@H]12)C |
Title of publication |
4-Methylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 7-acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 8-methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV) |
Authors of publication |
Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
1999 |
Journal volume |
55 |
Journal issue |
10 |
Pages of publication |
1721 - 1725 |
a |
6.629 ± 0.001 Å |
b |
16.35 ± 0.001 Å |
c |
5.328 ± 0.001 Å |
α |
95.78 ± 0.02° |
β |
109.9 ± 0.02° |
γ |
80.3 ± 0.02° |
Cell volume |
534.64 ± 0.15 Å3 |
Cell temperature |
297 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 |
0.058 |
Weighted residual factors for all reflections included in the refinement |
0.069 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.05 |
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/2009038.html