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Information card for entry 4518834
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Coordinates | 4518834.cif |
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Original paper (by DOI) | HTML |
Common name | voacamine |
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Formula | C43 H54 N4 O6 |
Calculated formula | C43 H54 N4 O6 |
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 | 21.993 ± 0.003 Å |
b | 54.505 ± 0.006 Å |
c | 10.1583 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 12177 ± 3 Å3 |
Cell temperature | 250 ± 2 K |
Ambient diffraction temperature | 250 ± 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 | 0.1788 |
Residual factor for significantly intense reflections | 0.0877 |
Weighted residual factors for significantly intense reflections | 0.1811 |
Weighted residual factors for all reflections included in the refinement | 0.2249 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
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266689 (current) | 2021-06-26 | cif/ Adding structures of 4518833, 4518834 via cif-deposit CGI script. |
4518834.cif |
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