Information card for entry 2230760
Chemical name |
3-Nitroso-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one |
Formula |
C31 H27 N3 O2 |
Calculated formula |
C31 H27 N3 O2 |
SMILES |
O=C1[C@H]2[C@@H](N[C@@H]([C@@H]1[C@H](N(N=O)[C@H]2c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication |
3-Nitroso-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one |
Authors of publication |
Natarajan, Sampath; Mathews, Rita |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
7 |
Pages of publication |
o1686 |
a |
18.723 ± 0.004 Å |
b |
8.8319 ± 0.0017 Å |
c |
15.806 ± 0.003 Å |
α |
90° |
β |
104.728 ± 0.003° |
γ |
90° |
Cell volume |
2527.8 ± 0.9 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
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 |
0.1451 |
Residual factor for significantly intense reflections |
0.0811 |
Weighted residual factors for significantly intense reflections |
0.1606 |
Weighted residual factors for all reflections included in the refinement |
0.1873 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.056 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2230760.html