Information card for entry 2231033
Chemical name |
6-Allyl-8-methoxy-3-phenyl-3,4-dihydro-2<i>H</i>-benzo[<i>e</i>][1,3]oxazine |
Formula |
C18 H19 N O2 |
Calculated formula |
C18 H19 N O2 |
SMILES |
C=CCc1cc2CN(COc2c(c1)OC)c1ccccc1 |
Title of publication |
6-Allyl-8-methoxy-3-phenyl-3,4-dihydro-2<i>H</i>-benzo[<i>e</i>][1,3]oxazine |
Authors of publication |
Zhu, Jing; Ren, Zhi-Dong; Liu, Yang; Zhao, Lei; Wu, Yong |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
8 |
Pages of publication |
o2056 |
a |
8.4087 ± 0.0005 Å |
b |
9.4852 ± 0.0005 Å |
c |
10.7735 ± 0.0007 Å |
α |
99.193 ± 0.005° |
β |
98.9 ± 0.005° |
γ |
115.476 ± 0.006° |
Cell volume |
741.3 ± 0.09 Å3 |
Cell temperature |
291.15 K |
Ambient diffraction temperature |
291.15 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 all reflections |
0.0536 |
Residual factor for significantly intense reflections |
0.0473 |
Weighted residual factors for significantly intense reflections |
0.1292 |
Weighted residual factors for all reflections included in the refinement |
0.1366 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.048 |
Diffraction radiation wavelength |
1.5418 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2231033.html