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Information card for entry 2241108
Preview
| Coordinates | 2241108.cif |
|---|---|
| Structure factors | 2241108.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Tetrakis(pyridin-2-yl)methane tetra<i>N</i>-oxide methanol tetrasolvate |
|---|---|
| Chemical name | Tetrakis(1-oxidopyridin-2-yl)methane methanol tetrasolvate |
| Formula | C25 H32 N4 O8 |
| Calculated formula | C25 H32 N4 O8 |
| SMILES | C(c1ccccn1=O)(c1ccccn1=O)(c1ccccn1=O)c1ccccn1=O.CO.CO.CO.CO |
| Title of publication | Crystal structure of tetrakis(1-oxidopyridin-2-yl)methane methanol tetrasolvate |
| Authors of publication | Matsumoto, Kouzou; Kawashita, Kazuaki; Kannami, Masaki; Oda, Masaji |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| Pages of publication | o754 - o755 |
| a | 14.4474 ± 0.0004 Å |
| b | 14.4474 ± 0.0004 Å |
| c | 12.2965 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2566.62 ± 0.14 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.053 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.134 |
| Weighted residual factors for all reflections included in the refinement | 0.138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241108.cif 2241108.hkl |
| 181912 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/11. |
2241108.cif 2241108.hkl |
| 158361 | 2015-09-26 | cif/ hkl/ Adding structures of 2241108 via cif-deposit CGI script. |
2241108.cif 2241108.hkl |
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Users of the data should acknowledge the original authors of the
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