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Information card for entry 4518835
Preview
| Coordinates | 4518835.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H27 Cl N2 O |
|---|---|
| Calculated formula | C20 H27 Cl N2 O |
| 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 | 9.386 ± 0.0005 Å |
| b | 10.6137 ± 0.0008 Å |
| c | 18.3018 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1823.2 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0632 |
| Residual factor for significantly intense reflections | 0.0604 |
| Weighted residual factors for significantly intense reflections | 0.1459 |
| Weighted residual factors for all reflections included in the refinement | 0.1482 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266690 (current) | 2021-06-26 | cif/ Adding structures of 4518835 via cif-deposit CGI script. |
4518835.cif |
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Users of the data should acknowledge the original authors of the
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