Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4518833
Preview
Coordinates | 4518833.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | voacamine |
---|---|
Formula | C43 H57 N4 O7.5 |
Calculated formula | C43 H52 N4 O7.5 |
Title of publication | Efficient Access to the Iboga Skeleton: Optimized Procedure to Obtain Voacangine from Voacanga africana Root Bark |
Authors of publication | González, Bruno; Fagúndez, Catherine; Peixoto de Abreu Lima, Alejandro; Suescun, Leopoldo; Sellanes, Diver; Seoane, Gustavo A.; Carrera, Ignacio |
Journal of publication | ACS Omega |
Year of publication | 2021 |
a | 18.7939 ± 0.001 Å |
b | 22.4746 ± 0.0012 Å |
c | 10.3719 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4380.9 ± 0.4 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 18 |
Hermann-Mauguin space group symbol | P 21 21 2 |
Hall space group symbol | P 2 2ab |
Residual factor for all reflections | 0.1552 |
Residual factor for significantly intense reflections | 0.1276 |
Weighted residual factors for significantly intense reflections | 0.34 |
Weighted residual factors for all reflections included in the refinement | 0.3659 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
266689 (current) | 2021-06-26 | cif/ Adding structures of 4518833, 4518834 via cif-deposit CGI script. |
4518833.cif |
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.