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Information card for entry 1564146
Preview
Coordinates | 1564146.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C49.8 H81.1 O15.75 |
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Calculated formula | C49.8 H81.09 O15.745 |
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 | 14.8197 ± 0.0007 Å |
b | 9.1753 ± 0.0005 Å |
c | 39.094 ± 0.002 Å |
α | 90° |
β | 94.49 ± 0.005° |
γ | 90° |
Cell volume | 5299.5 ± 0.5 Å3 |
Cell temperature | 173 ± 0.2 K |
Ambient diffraction temperature | 173 ± 0.2 K |
Number of distinct elements | 3 |
Space group number | 5 |
Hermann-Mauguin space group symbol | I 1 2 1 |
Hall space group symbol | I 2y |
Residual factor for all reflections | 0.0982 |
Residual factor for significantly intense reflections | 0.0971 |
Weighted residual factors for significantly intense reflections | 0.2572 |
Weighted residual factors for all reflections included in the refinement | 0.2584 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
267527 (current) | 2021-07-14 | cif/ Adding structures of 1564146 via cif-deposit CGI script. |
1564146.cif |
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Users of the data should acknowledge the original authors of the
structural data.