Information card for entry 2240907
Common name |
Sepaconitine |
Chemical name |
(1α,14α,16β)-20-Ethyl-8,9,10-trihydroxy-1,14,16-trimethoxyaconitan-4-yl 2-aminobenzoate |
Formula |
C30 H42 N2 O8 |
Calculated formula |
C30 H42 N2 O8 |
Title of publication |
Crystal structure of sepaconitine, a C~19~-diterpenoid alkaloid from the roots of <i>Aconitum sinomontanum</i> Nakai |
Authors of publication |
Shi, Xin-Wei; Lu, Qiang-Qiang; Zhou, Jun-Hui; Cui, Xin-Ai |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2015 |
Journal volume |
71 |
Journal issue |
8 |
Pages of publication |
o550 - o551 |
a |
9.6917 ± 0.0005 Å |
b |
16.051 ± 0.0007 Å |
c |
18.3549 ± 0.0007 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2855.3 ± 0.2 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 2 K |
Number of distinct elements |
4 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.0548 |
Residual factor for significantly intense reflections |
0.0461 |
Weighted residual factors for significantly intense reflections |
0.1197 |
Weighted residual factors for all reflections included in the refinement |
0.1259 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.046 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2240907.html