Information card for entry 2011972
Common name |
protopine hydrochloride |
Chemical name |
5,6,8,14-tetrahydro-14a-hydroxy-7-methyl-1,3-benzodioxolo[5,6-a] -1,3-benzodioxolo[4,5-g]quinolizinium chloride |
Formula |
C20 H20 Cl N O5 |
Calculated formula |
C20 H20 Cl N O5 |
SMILES |
c1c2c(cc3CC[N+]4(Cc5c6c(ccc5CC4(O)c13)OCO6)C)OCO2.[Cl-] |
Title of publication |
Protopine hydrochloride |
Authors of publication |
Dostál, Jiří; Žák, Zdirad; Nečas, Marek; Slavík, Jiří; Potáček, Milan |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2001 |
Journal volume |
57 |
Journal issue |
5 |
Pages of publication |
651 - 652 |
a |
6.94 ± 0.001 Å |
b |
17.755 ± 0.001 Å |
c |
13.829 ± 0.002 Å |
α |
90° |
β |
104.18 ± 0.01° |
γ |
90° |
Cell volume |
1652.1 ± 0.4 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 2 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.046 |
Residual factor for significantly intense reflections |
0.039 |
Weighted residual factors for all reflections included in the refinement |
0.102 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.16 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2011972.html