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Information card for entry 1564148
Preview
| Coordinates | 1564148.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C98.1 H152.2 O28.5 |
|---|---|
| Calculated formula | C98.1 H147.2 O28.5 |
| 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 | 16.7309 ± 0.0001 Å |
| b | 24.5805 ± 0.0002 Å |
| c | 24.5797 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10108.5 ± 0.13 Å3 |
| Cell temperature | 160 ± 0.2 K |
| Ambient diffraction temperature | 160 ± 0.2 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 | 0.101 |
| Residual factor for significantly intense reflections | 0.0972 |
| Weighted residual factors for significantly intense reflections | 0.2745 |
| Weighted residual factors for all reflections included in the refinement | 0.2815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267529 (current) | 2021-07-14 | cif/ Adding structures of 1564148 via cif-deposit CGI script. |
1564148.cif |
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Users of the data should acknowledge the original authors of the
structural data.