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Information card for entry 4507313
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| Coordinates | 4507313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | gallic acid |
|---|---|
| Chemical name | 3,4,5-trihydroxybenzoic acid |
| Formula | C7 H6 O5 |
| Calculated formula | C7 H6 O5 |
| SMILES | OC(=O)c1cc(O)c(O)c(O)c1 |
| 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 | 5.2303 ± 0.0001 Å |
| b | 5.26495 ± 0.00012 Å |
| c | 24.7927 ± 0.0004 Å |
| α | 90° |
| β | 102.112 ± 0.0017° |
| γ | 90° |
| Cell volume | 667.53 ± 0.02 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 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 | 2.065 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4507313.cif |
| 179609 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/73. |
4507313.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4507313.cif |
| 73908 | 2013-02-21 | cif/ Adding structures of 4507311, 4507312, 4507313, 4507314 via cif-deposit CGI script. |
4507313.cif |
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Users of the data should acknowledge the original authors of the
structural data.