Information card for entry 4074996
Formula |
C25 H26 B N3 O2 |
Calculated formula |
C25 H26 B N3 O2 |
SMILES |
O1[B]([N](=C(C(N=Nc2ccc(OC)cc2)=C1C)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 |
7.5283 ± 0.0002 Å |
b |
10.7694 ± 0.0004 Å |
c |
14.2237 ± 0.0005 Å |
α |
91.562 ± 0.002° |
β |
101.592 ± 0.001° |
γ |
97.572 ± 0.002° |
Cell volume |
1118.1 ± 0.06 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 |
0.1288 |
Residual factor for significantly intense reflections |
0.0539 |
Weighted residual factors for significantly intense reflections |
0.1183 |
Weighted residual factors for all reflections included in the refinement |
0.1481 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.993 |
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/4074996.html