Information card for entry 1515905
| Common name |
3b in manuscript |
| Chemical name |
4-(3-pyridinyl)-7-(4-methoxy)-2,1,3-benzothiazole |
| Formula |
C20 H13 N3 O S |
| Calculated formula |
C20 H13 N3 O S |
| SMILES |
COc1ccc(cc1)c1ccc(c2c1nsn2)C#Cc1cccnc1 |
| Title of publication |
On the selective detection of duplex deoxyribonucleic acids by 2,1,3-benzothiadiazole fluorophores. |
| Authors of publication |
Neto, Brenno A. D.; Lapis, Alexandre A. M.; Mancilha, Fabiana S.; Batista, Jr, Eraldo L; Netz, Paulo A.; Rominger, Frank; Basso, Luiz A.; Santos, Diógenes S; Dupont, Jaïrton |
| Journal of publication |
Molecular bioSystems |
| Year of publication |
2010 |
| Journal volume |
6 |
| Journal issue |
6 |
| Pages of publication |
967 - 975 |
| a |
7.491 ± 0.0001 Å |
| b |
16.4275 ± 0.0003 Å |
| c |
21.0326 ± 0.0003 Å |
| α |
107.378 ± 0.001° |
| β |
96.119 ± 0.001° |
| γ |
97.804 ± 0.001° |
| Cell volume |
2417.4 ± 0.07 Å3 |
| Cell temperature |
200 ± 2 K |
| Ambient diffraction temperature |
200 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0974 |
| Residual factor for significantly intense reflections |
0.0506 |
| Weighted residual factors for significantly intense reflections |
0.1201 |
| Weighted residual factors for all reflections included in the refinement |
0.144 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.006 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1515905.html
