Information card for entry 7245605
Chemical name |
oxaloacetic acid |
Formula |
C4 H4 O5 |
Calculated formula |
C4 H4 O5 |
Title of publication |
Anisotropy, Segmental Dynamics and Polymorphism of Crystalline Biogenic Carboxylic Acids |
Authors of publication |
Pokorny, Vaclav; Touš, Petr; Stejfa, Vojtech; R°užička, Květoslav; Rohlíček, Jan; Czernek, Jiri; Brus, Jiri; Cervinka, Ctirad |
Journal of publication |
Physical Chemistry Chemical Physics |
Year of publication |
2022 |
a |
8.69237 ± 0.00014 Å |
b |
6.06857 ± 0.00009 Å |
c |
5.58397 ± 0.0001 Å |
α |
90° |
β |
120.797 ± 0.001° |
γ |
90° |
Cell volume |
253.02 ± 0.008 Å3 |
Cell temperature |
293 K |
Ambient diffraction temperature |
293 K |
Number of distinct elements |
3 |
Space group number |
8 |
Hermann-Mauguin space group symbol |
C 1 m 1 |
Hall space group symbol |
C -2y |
Residual factor for all reflections |
0.0651 |
Residual factor for significantly intense reflections |
0.065 |
Weighted residual factors for all reflections |
0.0979 |
Weighted residual factors for significantly intense reflections |
0.0979 |
Goodness-of-fit parameter for all reflections |
11.2694 |
Method of determination |
powder diffraction |
Diffraction radiation probe |
x-ray |
Diffraction radiation wavelength |
1.54187 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/7245605.html