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Information card for entry 7150688
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| Coordinates | 7150688.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,4-Bis(pyrimidine-2,4-dione-5-yl)butadiyne |
|---|---|
| Chemical name | 1,4-Bis(pyrimidine-2,4-dione-5-yl)butadiyne |
| Formula | C16 H18 N4 O6 S2 |
| Calculated formula | C16 H18 N4 O6 S2 |
| Title of publication | Rigid rod and tetrahedral hybrid compounds featuring nucleobase and nucleoside end-capped structures |
| Authors of publication | Schindler, Diana; Eißmann, Frank; Weber, Edwin |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 17 |
| Pages of publication | 3549 - 3560 |
| a | 17.635 ± 0.003 Å |
| b | 11.989 ± 0.003 Å |
| c | 9.298 ± 0.002 Å |
| α | 90° |
| β | 102.961 ± 0.013° |
| γ | 90° |
| Cell volume | 1915.8 ± 0.7 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0733 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1114 |
| Weighted residual factors for all reflections included in the refinement | 0.1217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180292 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/06. |
7150688.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150688.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150688.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150688.cif |
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