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Information card for entry 4509268
Preview
| Coordinates | 4509268.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | hydrate of 5-methyl-2-pyridone and trimesic acid |
|---|---|
| Formula | C15 H15 N O8 |
| Calculated formula | C15 H15 N O8 |
| Title of publication | Vapour Induced Crystalline Transformation Investigated byab initioPowder X-ray Diffraction Analysis |
| Authors of publication | Fujii, Kotaro; Ashida, Yasunari; Uekusa, Hidehiro; Hirano, Shinya; Toyota, Shinji; Toda, Fumio; Pan, Zhigang; Harris, Kenneth D. M. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2009 |
| Journal volume | 9 |
| Journal issue | 2 |
| Pages of publication | 1201 |
| a | 10.54226 ± 0.0002 Å |
| b | 10.94869 ± 0.00029 Å |
| c | 7.09935 ± 0.0001 Å |
| α | 107.91 ± 0.0015° |
| β | 97.7465 ± 0.0014° |
| γ | 88.0882 ± 0.001° |
| Cell volume | 772.58 ± 0.03 Å3 |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| RFsqd | 0.08028 |
| Goodness-of-fit parameter for all reflections | 4.91 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.2368 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179628 (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 4/50/92. |
4509268.cif |
| 97192 | 2014-01-29 | cif/ Adding structures of 4509268 via cif-deposit CGI script. |
4509268.cif |
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Users of the data should acknowledge the original authors of the
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