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Information card for entry 2229311
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| Coordinates | 2229311.cif |
|---|---|
| Structure factors | 2229311.hkl |
| Original IUCr paper | 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 | O=C(O)c1cc(O)c(O)c(O)c1 |
| Title of publication | Gallic acid |
| Authors of publication | Zhao, Jianping; Khan, Ikhlas A.; Fronczek, Frank R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | o316 - o317 |
| a | 25.69 ± 0.004 Å |
| b | 4.8946 ± 0.0005 Å |
| c | 11.097 ± 0.002 Å |
| α | 90° |
| β | 105.746 ± 0.006° |
| γ | 90° |
| Cell volume | 1343 ± 0.4 Å3 |
| Cell temperature | 90 ± 0.5 K |
| Ambient diffraction temperature | 90 ± 0.5 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.038 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.1 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201978 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/22 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2229311.cif 2229311.hkl |
| 181214 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/93. |
2229311.cif 2229311.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2229311.cif 2229311.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229311.cif 2229311.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2229311.cif 2229311.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229311.cif 2229311.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229311.cif 2229311.hkl |
| 12404 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2229311 via cif-deposit CGI script. |
2229311.cif |
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Users of the data should acknowledge the original authors of the
structural data.