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Information card for entry 2108474
Preview
Coordinates | 2108474.cif |
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Structure factors | 2108474.hkl |
Original paper (by DOI) | HTML |
Formula | C23.5 H25 N3 O7.5 S |
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Calculated formula | C23.5 H27 N3 O7.5 S |
Title of publication | Understanding the formation of apremilast cocrystals |
Authors of publication | Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Ĺšniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J. |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2019 |
Journal volume | 75 |
Journal issue | 5 |
a | 12.85808 ± 0.00014 Å |
b | 12.85808 ± 0.00014 Å |
c | 29.5715 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4889.06 ± 0.1 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.01 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 92 |
Hermann-Mauguin space group symbol | P 41 21 2 |
Hall space group symbol | P 4abw 2nw |
Residual factor for all reflections | 0.0638 |
Residual factor for significantly intense reflections | 0.0629 |
Weighted residual factors for significantly intense reflections | 0.1775 |
Weighted residual factors for all reflections included in the refinement | 0.179 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
218152 (current) | 2019-09-11 | cif/ hkl/ Adding structures of 2108471, 2108472, 2108473, 2108474, 2108475 via cif-deposit CGI script. |
2108474.cif 2108474.hkl |
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Users of the data should acknowledge the original authors of the
structural data.