Information card for entry 2225784
Chemical name |
1,3-Diphenyl-3,4-dihydrobenzo[<i>b</i>][1,6]naphthyridine |
Formula |
C24 H18 N2 |
Calculated formula |
C24 H18 N2 |
SMILES |
C1(=NC(Cc2nc3ccccc3cc12)c1ccccc1)c1ccccc1 |
Title of publication |
1,3-Diphenyl-3,4-dihydrobenzo[<i>b</i>][1,6]naphthyridine |
Authors of publication |
Seebacher, Werner; Weis, Robert; Saf, Robert; Belaj, Ferdinand |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
5 |
Pages of publication |
o1114 |
a |
10.2658 ± 0.0004 Å |
b |
10.8583 ± 0.0005 Å |
c |
16.1842 ± 0.0007 Å |
α |
90° |
β |
107.909 ± 0.002° |
γ |
90° |
Cell volume |
1716.63 ± 0.13 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
3 |
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 |
0.0399 |
Residual factor for significantly intense reflections |
0.0363 |
Weighted residual factors for significantly intense reflections |
0.0904 |
Weighted residual factors for all reflections included in the refinement |
0.0935 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.022 |
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/2225784.html