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Information card for entry 1516722
Preview
| Coordinates | 1516722.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | VBT3Pyr |
|---|---|
| Chemical name | VBT3Pyr |
| Formula | C19 H17 N3 O2 |
| Calculated formula | C19 H17 N3 O2 |
| SMILES | N1C(=O)N(C=C(C1=O)C)Cc1ccc(/C=C/c2cnccc2)cc1 |
| 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 | 4.87 ± 0.001 Å |
| b | 10.62 ± 0.002 Å |
| c | 15.26 ± 0.003 Å |
| α | 100.47 ± 0.03° |
| β | 94.59 ± 0.03° |
| γ | 93.98 ± 0.03° |
| Cell volume | 770.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 all reflections | 0.107 |
| Residual factor for significantly intense reflections | 0.0746 |
| Weighted residual factors for significantly intense reflections | 0.1907 |
| Weighted residual factors for all reflections included in the refinement | 0.2111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.7107 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. |
1516722.cif |
| 123516 | 2014-09-08 | cif/ Updating files of 1516721, 1516722, 1516723, 1516724, 1516725 Original log message: Adding full bibliography for 1516721--1516725.cif. |
1516722.cif |
| 118237 | 2014-06-27 | cif/ Adding structures of 1516721, 1516722, 1516723, 1516724, 1516725 via cif-deposit CGI script. |
1516722.cif |
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Users of the data should acknowledge the original authors of the
structural data.