Information card for entry 7040403
| Formula |
C25 H42 B N3 |
| Calculated formula |
C25 H42 B N3 |
| SMILES |
[B]1([N](=C(N1c1ccccc1)NC(C)C)C(C)C)(C1CCCCC1)C1CCCCC1 |
| Title of publication |
Dialkylboron guanidinates: syntheses, structures and carbodiimide de-insertion reactions. |
| Authors of publication |
Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; Montero-Rama, María Pilar; Ramos, Alberto; Villaseñor, Elena; Rojas, Rene S.; Rodríguez-Diéguez, Antonio |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2016 |
| Journal volume |
45 |
| Journal issue |
39 |
| Pages of publication |
15350 |
| a |
9.6645 ± 0.0007 Å |
| b |
11.0217 ± 0.0012 Å |
| c |
11.9242 ± 0.0009 Å |
| α |
81.971 ± 0.004° |
| β |
73.936 ± 0.004° |
| γ |
81.185 ± 0.005° |
| Cell volume |
1199.8 ± 0.18 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 |
0.081 |
| Residual factor for significantly intense reflections |
0.0542 |
| Weighted residual factors for significantly intense reflections |
0.1299 |
| Weighted residual factors for all reflections included in the refinement |
0.1442 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.045 |
| 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/7040403.html
