Information card for entry 7039261
| Formula |
C14 H19 N4 O2 P S2 |
| Calculated formula |
C14 H19 N4 O2 P S2 |
| SMILES |
P(c1sc(nc1)N)(c1sc(nc1)N)c1ccccc1.CO.CO |
| Title of publication |
Thiazoyl phosphines. Design, reactivity, and complexation. |
| Authors of publication |
Zablocka, Maria; Oshovsky, Gennady; Duhayon, Carine; Ladeira, Sonia; Caminade, Anne-Marie; Mignani, Serge; Majoral, Jean-Pierre |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2016 |
| Journal volume |
45 |
| Journal issue |
23 |
| Pages of publication |
9695 - 9703 |
| a |
5.8693 ± 0.0004 Å |
| b |
8.7664 ± 0.0008 Å |
| c |
18.5843 ± 0.0013 Å |
| α |
95.209 ± 0.007° |
| β |
89.257 ± 0.006° |
| γ |
109.426 ± 0.007° |
| Cell volume |
897.9 ± 0.13 Å3 |
| Cell temperature |
180 K |
| Ambient diffraction temperature |
180 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0473 |
| Residual factor for significantly intense reflections |
0.0389 |
| Weighted residual factors for all reflections |
0.0489 |
| Weighted residual factors for significantly intense reflections |
0.0452 |
| Weighted residual factors for all reflections included in the refinement |
0.0437 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.0954 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7039261.html
