Information card for entry 2208224
Common name |
(S)-(-)-2,3-Dimethoxy-8-oxoberbine |
Chemical name |
(S)-(-)-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-dibenzo[a,g]quinolizin-8-one |
Formula |
C19 H19 N O3 |
Calculated formula |
C19 H19 N O3 |
SMILES |
O(c1cc2c(cc1OC)CCN1C(=O)c3ccccc3C[C@@H]21)C |
Title of publication |
(<i>S</i>)-(‒)-2,3-Dimethoxy-8-oxoberbine |
Authors of publication |
Gzella, Andrzej; Chrzanowska, Maria; Dreas, Agnieszka; Froelich, Anna |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
2 |
Pages of publication |
o598 - o600 |
a |
7.953 ± 0.0012 Å |
b |
7.7145 ± 0.0012 Å |
c |
12.7627 ± 0.0012 Å |
α |
90° |
β |
95.76 ± 0.01° |
γ |
90° |
Cell volume |
779.08 ± 0.18 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.039 |
Residual factor for significantly intense reflections |
0.038 |
Weighted residual factors for significantly intense reflections |
0.092 |
Weighted residual factors for all reflections included in the refinement |
0.093 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.1 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/2208224.html