Information card for entry 2007443
Chemical name |
9-Methyl-8,11,12-trioxatricyclo[7.2.1.0^2,7^]dodeca-2,4,6-trien-10-one |
Formula |
C10 H8 O4 |
Calculated formula |
C10 H8 O4 |
SMILES |
c12ccccc1[C@@H]1O[C@](O2)(C(=O)O1)C |
Title of publication |
9-Methyl-8,11,12-trioxatricyclo[7.2.1.0^2,7^]dodeca-2,4,6-trien-10-one |
Authors of publication |
Eilers, Frank; Bach, Thorsten; Fröhlich, Roland |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
1998 |
Journal volume |
54 |
Journal issue |
7 |
Pages of publication |
1011 - 1013 |
a |
5.838 ± 0.001 Å |
b |
7.231 ± 0.001 Å |
c |
20.548 ± 0.001 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
867.4 ± 0.2 Å3 |
Cell temperature |
223 ± 2 K |
Ambient diffraction temperature |
223 ± 2 K |
Number of distinct elements |
3 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.031 |
Residual factor for significantly intense reflections |
0.031 |
Weighted residual factors for all reflections |
0.09 |
Weighted residual factors for significantly intense reflections |
0.09 |
Goodness-of-fit parameter for all reflections |
1.132 |
Goodness-of-fit parameter for significantly intense reflections |
1.139 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/2007443.html