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Information card for entry 8000140
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| Coordinates | 8000140.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4NHMe6Opym |
|---|---|
| Chemical name | 4-methylamino-6-oxopyrimidine |
| Formula | C5 H11 N3 O3 |
| Calculated formula | C5 H11 N3 O3 |
| Title of publication | Regulated Formation of 2D Water Layers with Alternating Six-membered Quasi-planar and Chair Cluster Units by 1D Supramolecular Chain |
| Authors of publication | Goto, Kenta; Shinmyozu, Teruo |
| Journal of publication | Chemistry Letters |
| Year of publication | 2007 |
| Journal volume | 36 |
| Journal issue | 9 |
| Pages of publication | 1100 |
| a | 4.9585 ± 0.0003 Å |
| b | 7.5475 ± 0.0004 Å |
| c | 10.443 ± 0.001 Å |
| α | 83.622 ± 0.004° |
| β | 87.979 ± 0.003° |
| γ | 84.641 ± 0.002° |
| Cell volume | 386.58 ± 0.05 Å3 |
| Cell temperature | 113.2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for all reflections included in the refinement | 0.1214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.834 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8000140.cif |
| 94288 | 2014-01-22 | cif/ Adding structures of 8000140 via cif-deposit CGI script. |
8000140.cif |
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Users of the data should acknowledge the original authors of the
structural data.