Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2007808
Preview
Coordinates | 2007808.cif |
---|---|
Original IUCr paper | HTML |
Common name | (+)-3-epimacronine |
---|---|
Chemical name | (+)-(3S,4aS,6aR,13bS)-3-methoxy-5-methyl-3,4,4a,5,6,6a-hexahydro-[1,3]dioxolo[6, 7][2]benzopyrano[3,4-c]indol-8-one |
Formula | C18 H19.132 N O5.066 |
Calculated formula | C18 H19.132 N O5.066 |
Title of publication | <i>Amaryllidaceae</i> Alkaloids: (+)-Tazettine, (+)-3-<i>O</i>-Demethylcriwelline and (+)-3-Epimacronine at 173 K |
Authors of publication | Linden, Anthony; Akineri, Gülnur; Noyan, Seda; Gözler, Tekant; Hesse, Manfred |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1998 |
Journal volume | 54 |
Journal issue | 11 |
Pages of publication | 1653 - 1659 |
a | 8.176 ± 0.002 Å |
b | 17.666 ± 0.002 Å |
c | 11.0743 ± 0.0009 Å |
α | 90° |
β | 95.054 ± 0.009° |
γ | 90° |
Cell volume | 1593.3 ± 0.4 Å3 |
Cell temperature | 173 ± 1 K |
Ambient diffraction temperature | 173 ± 1 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 | 0.044 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for all reflections included in the refinement | 0.09 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2007808.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.