Information card for entry 2229229
Chemical name |
6,9-Dimethoxy-3,4-dihydro-1<i>H</i>-1,4-oxazino[4,3-<i>a</i>]indol-1-one |
Formula |
C13 H13 N O4 |
Calculated formula |
C13 H13 N O4 |
SMILES |
n12CCOC(=O)c1cc1c(ccc(c21)OC)OC |
Title of publication |
6,9-Dimethoxy-3,4-dihydro-1<i>H</i>-1,4-oxazino[4,3-<i>a</i>]indol-1-one |
Authors of publication |
Salas, Cristian O.; Tapia, Ricardo A.; Prieto, Yolanda |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
2 |
Pages of publication |
o318 |
a |
8.414 ± 0.002 Å |
b |
6.9722 ± 0.0019 Å |
c |
19.331 ± 0.005 Å |
α |
90° |
β |
101.276 ± 0.004° |
γ |
90° |
Cell volume |
1112.1 ± 0.5 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 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 |
0.0475 |
Residual factor for significantly intense reflections |
0.0383 |
Weighted residual factors for significantly intense reflections |
0.0954 |
Weighted residual factors for all reflections included in the refinement |
0.1015 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.06 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2229229.html