Information card for entry 4074999
| Formula |
C25 H26 B N3 O |
| Calculated formula |
C25 H26 B N3 O |
| SMILES |
O1[B]([N](=C(C(=C1C)N=Nc1ccc(cc1)C)C)C)(c1ccccc1)c1ccccc1 |
| Title of publication |
Novel 5-(4-Substituted-phenyldiazenyl)-1,3,2λ4-oxazaborines and Their Rearrangement to 1,2,4,3λ4-Triazaborines |
| Authors of publication |
Pešková, Markéta; Šimůnek, Petr; Bertolasi, Valerio; Macháček, Vladimír; Lyčka, Antonín |
| Journal of publication |
Organometallics |
| Year of publication |
2006 |
| Journal volume |
25 |
| Journal issue |
8 |
| Pages of publication |
2025 |
| a |
7.4735 ± 0.0001 Å |
| b |
10.7525 ± 0.0003 Å |
| c |
14.2404 ± 0.0004 Å |
| α |
90.686 ± 0.001° |
| β |
103.567 ± 0.001° |
| γ |
95.318 ± 0.002° |
| Cell volume |
1106.95 ± 0.05 Å3 |
| Cell temperature |
295 K |
| Ambient diffraction temperature |
295 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 |
0.0717 |
| Residual factor for significantly intense reflections |
0.0498 |
| Weighted residual factors for significantly intense reflections |
0.1294 |
| Weighted residual factors for all reflections included in the refinement |
0.1452 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.023 |
| 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/4074999.html
