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Information card for entry 7243938
Preview
Coordinates | 7243938.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H20 F2 N5 O5 P S |
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Calculated formula | C22 H20 F2 N5 O5 P S |
Title of publication | Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance |
Authors of publication | Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L. |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 48 |
Pages of publication | 8513 - 8526 |
a | 6.1215 ± 0.0003 Å |
b | 11.1722 ± 0.0005 Å |
c | 34.3989 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2352.56 ± 0.19 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0292 |
Residual factor for significantly intense reflections | 0.0276 |
Weighted residual factors for significantly intense reflections | 0.066 |
Weighted residual factors for all reflections included in the refinement | 0.067 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
271842 (current) | 2022-01-06 | cif/ Updating files of 7243935, 7243936, 7243937, 7243938 Original log message: Adding full bibliography for 7243935--7243938.cif. |
7243938.cif |
270751 | 2021-11-19 | cif/ Adding structures of 7243935, 7243936, 7243937, 7243938 via cif-deposit CGI script. |
7243938.cif |
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Users of the data should acknowledge the original authors of the
structural data.