Information card for entry 1520654
| Formula |
C19 H20 N2 O |
| Title of publication |
The Conformational Behaviour of 4,4a,5,6,7,8-Hexahydropyrido[1,2-d] [1,3,4]oxadiazine Derivatives Studied by NMR Spectroscopy and Molecular Mechanics |
| Authors of publication |
Rosling, Ari; Hotokka, Matti; Klika, Karel D.; Fulop, Ferenc; Sillanpaa, Reijo; Mattinen, Jorma |
| Journal of publication |
Acta Chemica Scandinavica |
| Year of publication |
1999 |
| Journal volume |
53 |
| Pages of publication |
213 - 221 |
| a |
9.621 ± 0.004 Å |
| b |
11.641 ± 0.006 Å |
| c |
7.681 ± 0.003 Å |
| α |
108.01 ± 0.04° |
| β |
95.03 ± 0.04° |
| γ |
76.95 ± 0.04° |
| Cell volume |
796.8 ± 0.7 Å3 |
| Ambient diffraction temperature |
293 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for significantly intense reflections |
0.03 |
| Weighted residual factors for significantly intense reflections |
0.036 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.62 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71069 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
No |
| Has disorder |
No |
| Has Fobs |
No |
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