Information card for entry 2230935
Common name |
angustoline monohydrate |
Chemical name |
1-(1-Hydroxyethyl)-7,8-dihydroindolo[2,3-<i>a</i>]pyridine[3,4- <i>g</i>]quinolizin-5(13<i>H</i>)-one monohydrate |
Formula |
C20 H19 N3 O3 |
Calculated formula |
C20 H19 N3 O3 |
SMILES |
O=c1n2CCc3c4c([nH]c3c2cc2c1cncc2[C@@H](O)C)cccc4.O |
Title of publication |
1-(1-Hydroxyethyl)-7,8-dihydroindolo[2,3-<i>a</i>]pyridine[3,4-<i>g</i>]quinolizin-5(13<i>H</i>)-one (angustoline) monohydrate from <i>Nauclea subdita</i> (Rubiaceae) |
Authors of publication |
Liew, Sook Yee; Mukhtar, Mat Ropi; Awang, Khalijah; Mustafa, Mohd Rais; Ng, Seik Weng |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
7 |
Pages of publication |
o1727 - o1728 |
a |
8.835 ± 0.0003 Å |
b |
6.7002 ± 0.0002 Å |
c |
14.7347 ± 0.0004 Å |
α |
90° |
β |
103.117 ± 0.003° |
γ |
90° |
Cell volume |
849.48 ± 0.05 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 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 |
0.0401 |
Residual factor for significantly intense reflections |
0.0359 |
Weighted residual factors for significantly intense reflections |
0.0952 |
Weighted residual factors for all reflections included in the refinement |
0.0981 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.021 |
Diffraction radiation wavelength |
1.54184 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2230935.html