Information card for entry 4507314
Common name |
gallic acid |
Chemical name |
3,4,5-trihydroxybenzoic acid |
Formula |
C7 H8 O6 |
Calculated formula |
C7 H8 O6 |
SMILES |
Oc1cc(cc(O)c1O)C(=O)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 |
7.60719 ± 0.00009 Å |
b |
3.64133 ± 0.00004 Å |
c |
26.7915 ± 0.0004 Å |
α |
90° |
β |
98.4212 ± 0.0011° |
γ |
90° |
Cell volume |
734.131 ± 0.016 Å3 |
Cell temperature |
123 K |
Ambient diffraction temperature |
123 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 |
Goodness-of-fit parameter for all reflections |
4.298 |
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/4507314.html