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Information card for entry 1519019
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| Coordinates | 1519019.cif |
|---|
| Formula | C20 H18 N4 O S |
|---|---|
| Calculated formula | C20 N4 O S |
| SMILES | S(CC(O)c1ncc2ncn(c2n1)Cc1ccccc1)c1ccccc1 |
| Title of publication | Addition and Cycloaddition to 2- and 8-Vinylpurines |
| Authors of publication | Liu, Fushen; Dalhus, Bjorn; Gundersen, Lise-Lotte; Rise, Frode |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1999 |
| Journal volume | 53 |
| Pages of publication | 269 - 279 |
| a | 36.6951 ± 0.0011 Å |
| b | 12.5877 ± 0.0005 Å |
| c | 8.0725 ± 0.0002 Å |
| α | 90° |
| β | 101.099 ± 0.002° |
| γ | 90° |
| Cell volume | 3659 ± 0.2 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1187 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (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 1. |
1519019.cif |
| 135250 | 2015-04-10 | cif/ Adding structures of 1519019 via cif-deposit CGI script. |
1519019.cif |
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Users of the data should acknowledge the original authors of the
structural data.