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Information card for entry 2239989
Preview
| Coordinates | 2239989.cif |
|---|---|
| Structure factors | 2239989.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(1,3,7,9-Tetramethyl-2,4,6,8-tetraoxo-1,2,3,4,6,7,8,9-octahydropyrido[2,3-<i>d</i>:6,5-<i>d</i>']dipyrimidin-5-yl)benzamide <i>N</i>,<i>N</i>-dimethylformamide hemisolvate |
|---|---|
| Formula | C43 H43 N13 O11 |
| Calculated formula | C43 H43 N13 O11 |
| Title of publication | Crystal structure of 2-(1,3,7,9-tetramethyl-2,4,6,8-tetraoxo-1,2,3,4,6,7,8,9-octahydropyrido[2,3-<i>d</i>:6,5-<i>d</i>']dipyrimidin-5-yl)benzamide dimethylformamide hemisolvate |
| Authors of publication | Ayvazyan, Armen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 10 |
| Pages of publication | 213 - 215 |
| a | 26.173 ± 0.004 Å |
| b | 26.173 ± 0.004 Å |
| c | 12.434 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8518 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 122 |
| Hermann-Mauguin space group symbol | I -4 2 d |
| Hall space group symbol | I -4 2bw |
| Residual factor for all reflections | 0.1277 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1088 |
| Weighted residual factors for all reflections included in the refinement | 0.1353 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181899 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/99. |
2239989.cif 2239989.hkl |
| 181318 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/99. |
2239989.cif 2239989.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239989.cif 2239989.hkl |
| 123951 | 2014-09-18 | cif/ hkl/ Adding structures of 2239989 via cif-deposit CGI script. |
2239989.cif 2239989.hkl |
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