Information card for entry 2233891
Common name |
(1<i>R</i>*,2<i>S</i>*,4<i>S</i>*,5<i>R</i>*)-Cyclohexane-1,2:4,5- tetracarboxylic dianhydride |
Chemical name |
(1<i>R</i>*,3<i>R</i>*,7<i>S</i>*,9<i>S</i>*)- 5,11-dioxatricyclo[7.3.0.0^3,7^]dodecane-4,6,10,12-tetrone |
Formula |
C10 H8 O6 |
Calculated formula |
C10 H8 O6 |
SMILES |
O=C1OC(=O)[C@@H]2[C@H]1C[C@@H]1[C@H](C2)C(=O)OC1=O |
Title of publication |
(1<i>R</i>*,2<i>S</i>*,4<i>S</i>*,5<i>R</i>*)-Cyclohexane-1,2:4,5-tetracarboxylic dianhydride |
Authors of publication |
Uchida, Akira; Hasegawa, Masatoshi; Takezawa, Eiichiro; Yamaguchi, Shinya; Ishikawa, Atsushi; Kagayama, Takashi |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
3 |
Pages of publication |
o579 |
a |
12.167 ± 0.002 Å |
b |
7.138 ± 0.0014 Å |
c |
10.626 ± 0.002 Å |
α |
90° |
β |
90.12 ± 0.03° |
γ |
90° |
Cell volume |
922.8 ± 0.3 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 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 all reflections |
0.0495 |
Residual factor for significantly intense reflections |
0.0452 |
Weighted residual factors for significantly intense reflections |
0.1335 |
Weighted residual factors for all reflections included in the refinement |
0.1396 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.996 |
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/2233891.html