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Information card for entry 4508227
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| Coordinates | 4508227.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | pyrogallol_tetartohydrate |
|---|---|
| Chemical name | 1,2,3-trihydroxybenzene |
| Formula | C24 H26 O13 |
| Calculated formula | C24 H24 O13 |
| Title of publication | Absorbing a Little Water: The Structural, Thermodynamic, and Kinetic Relationship between Pyrogallol and Its Tetarto-Hydrate. |
| Authors of publication | Braun, Doris E.; Bhardwaj, Rajni M.; Arlin, Jean-Baptiste; Florence, Alastair J.; Kahlenberg, Volker; Griesser, Ulrich J.; Tocher, Derek A.; Price, Sarah L. |
| Journal of publication | Crystal growth & design |
| Year of publication | 2013 |
| Journal volume | 13 |
| Journal issue | 9 |
| Pages of publication | 4071 - 4083 |
| a | 24.6058 ± 0.0006 Å |
| b | 24.6058 ± 0.0006 Å |
| c | 3.8524 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2332.4 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 86 |
| Hermann-Mauguin space group symbol | P 42/n :2 |
| Hall space group symbol | -P 4bc |
| Goodness-of-fit parameter for all reflections | 3.05 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.54056 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179618 (current) | 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 4/50/82. |
4508227.cif |
| 88953 | 2013-10-09 | cif/ Adding structures of 4508227 via cif-deposit CGI script. |
4508227.cif |
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Users of the data should acknowledge the original authors of the
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