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Information card for entry 1516721
Preview
| Coordinates | 1516721.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | VBT-4Pyr |
|---|---|
| Chemical name | VBT-4Pyr |
| Formula | C19 H17 N3 O2 |
| Calculated formula | C19 H17 N3 O2 |
| SMILES | O=C1N(Cc2ccc(cc2)/C=C/c2ccncc2)C=C(C)C(=O)N1 |
| Title of publication | Synthesis of thyminyl stilbazoles and their photo-reactivity. |
| Authors of publication | Johnston, Priscilla; Nishikami, Yuki; Saito, Kei |
| Journal of publication | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
| Year of publication | 2014 |
| Journal volume | 13 |
| Journal issue | 9 |
| Pages of publication | 1290 - 1296 |
| a | 16.482 ± 0.003 Å |
| b | 4.96 ± 0.001 Å |
| c | 18.568 ± 0.004 Å |
| α | 90° |
| β | 91.72 ± 0.03° |
| γ | 90° |
| Cell volume | 1517.3 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0679 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1252 |
| Weighted residual factors for all reflections included in the refinement | 0.1355 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71082 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1516721.cif |
| 123516 | 2014-09-08 | cif/ Updating files of 1516721, 1516722, 1516723, 1516724, 1516725 Original log message: Adding full bibliography for 1516721--1516725.cif. |
1516721.cif |
| 118237 | 2014-06-27 | cif/ Adding structures of 1516721, 1516722, 1516723, 1516724, 1516725 via cif-deposit CGI script. |
1516721.cif |
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Users of the data should acknowledge the original authors of the
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