Information card for entry 4074995
Formula |
C30 H28 B N3 O2 |
Calculated formula |
C30 H28 B N3 O2 |
SMILES |
O1[B]([N](=C(C(N=Nc2ccc(OC)cc2)=C1c1ccccc1)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 |
9.652 ± 0.0001 Å |
b |
18.6355 ± 0.0003 Å |
c |
15.0383 ± 0.0003 Å |
α |
90° |
β |
104.649 ± 0.001° |
γ |
90° |
Cell volume |
2617.01 ± 0.07 Å3 |
Cell temperature |
295 K |
Ambient diffraction temperature |
295 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.101 |
Residual factor for significantly intense reflections |
0.0766 |
Weighted residual factors for significantly intense reflections |
0.2046 |
Weighted residual factors for all reflections included in the refinement |
0.2307 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.038 |
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/4074995.html