Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2001309
Preview
Coordinates | 2001309.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 2H,3H-2-phenyl-3,4-dimethyl-6-carbonitrile 2R-[2α,3α,6β,9α]- hexahydropyrido [2,1-b][1,3,4] oxadiazin |
---|---|
Formula | C16 H21 N3 O |
Calculated formula | C16 H21 N3 O |
Title of publication | X-ray diffraction analysis of two hexahydropyrido[2,1-<i>b</i>][1,3,4]oxadiazines: evidence for the effect of steric congestion on anion formation at the aminonitrile centre |
Authors of publication | Chiaroni, A.; Riche, C.; Guerrier, L.; Royer, J.; Grierson, D. S.; Husson, H.-P. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1993 |
Journal volume | 49 |
Journal issue | 10 |
Pages of publication | 1786 - 1789 |
a | 8.934 ± 0.003 Å |
b | 11.556 ± 0.004 Å |
c | 14.884 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1536.6 ± 1 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for significantly intense reflections | 0.06 |
Goodness-of-fit parameter for significantly intense reflections | 0.82 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2001309.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.