Information card for entry 4507311
Common name |
gallic acid |
Chemical name |
3,4,5-trihydroxybenzoic acid |
Formula |
C7 H6 O5 |
Calculated formula |
C7 H6 O5 |
SMILES |
Oc1cc(cc(O)c1O)C(=O)O |
Title of publication |
Complex Polymorphic System of Gallic Acid-Five Monohydrates, Three Anhydrates, and over 20 Solvates. |
Authors of publication |
Braun, Doris E.; Bhardwaj, Rajni M.; Florence, Alastair J.; Tocher, Derek A.; Price, Sarah L. |
Journal of publication |
Crystal growth & design |
Year of publication |
2013 |
Journal volume |
13 |
Journal issue |
1 |
Pages of publication |
19 - 23 |
a |
7.31853 ± 0.00019 Å |
b |
8.2536 ± 0.0002 Å |
c |
11.7148 ± 0.0003 Å |
α |
100.472 ± 0.0012° |
β |
90.2335 ± 0.0017° |
γ |
90.9844 ± 0.0017° |
Cell volume |
695.72 ± 0.03 Å3 |
Cell temperature |
298 K |
Ambient diffraction temperature |
298 K |
Number of distinct elements |
3 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Goodness-of-fit parameter for all reflections |
5.227 |
Method of determination |
powder diffraction |
Diffraction radiation wavelength |
1.54056 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/4507311.html