Information card for entry 2239164
Chemical name |
(1<i>S</i>*,2<i>S</i>*,4<i>R</i>*,5<i>R</i>*)-Cyclohexane-1,2,4,5-tetracarboxylic acid |
Formula |
C10 H12 O8 |
Calculated formula |
C10 H12 O8 |
SMILES |
OC(=O)[C@@H]1C[C@H](C(=O)O)[C@H](C[C@H]1C(=O)O)C(=O)O |
Title of publication |
(1<i>S</i>*,2<i>S</i>*,4<i>R</i>*,5<i>R</i>*)-Cyclohexane-1,2,4,5-tetracarboxylic acid |
Authors of publication |
Uchida, Akira; Hasegawa, Masatoshi; Yamaguchi, Shinya; Takezawa, Eiichiro; Ishikawa, Atsushi; Kagayama, Takashi |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2014 |
Journal volume |
70 |
Journal issue |
1 |
Pages of publication |
o75 |
a |
17.697 ± 0.0006 Å |
b |
17.697 ± 0.0006 Å |
c |
9.5455 ± 0.0006 Å |
α |
90° |
β |
90° |
γ |
120° |
Cell volume |
2589 ± 0.2 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
3 |
Space group number |
148 |
Hermann-Mauguin space group symbol |
R -3 |
Hall space group symbol |
-R 3 |
Residual factor for all reflections |
0.0491 |
Residual factor for significantly intense reflections |
0.0414 |
Weighted residual factors for significantly intense reflections |
0.1131 |
Weighted residual factors for all reflections included in the refinement |
0.1189 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.064 |
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/2239164.html