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Information card for entry 7244114
Preview
| Coordinates | 7244114.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | artesiminin hemikis(acetylenedicarboxylic acid) |
|---|---|
| Chemical name | Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one hemikis(but-2-ynedioic acid) |
| Formula | C17 H23 O7 |
| Calculated formula | C17 H23 O7 |
| Title of publication | Artemisinin–acetylenedicarboxylic acid cocrystal: screening, structure determination, and physicochemical property characterisation |
| Authors of publication | Makadia, Jay; Madu, Shadrack J.; Arroo, Randolph; Seaton, Colin C.; Li, Mingzhong |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| Journal volume | 24 |
| Journal issue | 5 |
| Pages of publication | 1056 - 1067 |
| a | 10.5089 ± 0.0004 Å |
| b | 24.083 ± 0.0011 Å |
| c | 6.4952 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1643.84 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 149.99 K |
| Number of distinct elements | 3 |
| 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 | 0.0416 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0884 |
| Weighted residual factors for all reflections included in the refinement | 0.0922 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272607 (current) | 2022-02-04 | cif/ Updating files of 7244114 Original log message: Adding full bibliography for 7244114.cif. |
7244114.cif |
| 271610 | 2021-12-24 | cif/ Adding structures of 7244114 via cif-deposit CGI script. |
7244114.cif |
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Users of the data should acknowledge the original authors of the
structural data.