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Information card for entry 1564147
Preview
| Coordinates | 1564147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C98.1 H151.2 O29 |
|---|---|
| Calculated formula | C98.1 H151.2 O29 |
| Title of publication | Crystal Structures of New Ivermectin Pseudopolymorphs |
| Authors of publication | Shubin, Kirill; Bērziņš, Agris; Belyakov, Sergey |
| Journal of publication | Crystals |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 2 |
| Pages of publication | 172 |
| a | 16.7127 ± 0.0002 Å |
| b | 24.5777 ± 0.0002 Å |
| c | 24.5908 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10100.9 ± 0.17 Å3 |
| Cell temperature | 160 ± 0.1 K |
| Ambient diffraction temperature | 160 ± 0.1 K |
| Number of distinct elements | 3 |
| 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 | 0.1051 |
| Residual factor for significantly intense reflections | 0.0981 |
| Weighted residual factors for significantly intense reflections | 0.2873 |
| Weighted residual factors for all reflections included in the refinement | 0.2987 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.485 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267528 (current) | 2021-07-14 | cif/ Adding structures of 1564147 via cif-deposit CGI script. |
1564147.cif |
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Users of the data should acknowledge the original authors of the
structural data.