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Information card for entry 2022897
Preview
Coordinates | 2022897.cif |
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Structure factors | 2022897.hkl |
Original IUCr paper | HTML |
Common name | Deferiprone Phloroglucinol hydrate (2:1:2) |
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Formula | C20 H28 N2 O9 |
Calculated formula | C20 H28 N2 O9 |
Title of publication | Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug |
Authors of publication | Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar |
Journal of publication | Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials |
Year of publication | 2021 |
Journal volume | 77 |
Journal issue | 6 |
Pages of publication | 946 - 964 |
a | 7.9892 ± 0.0019 Å |
b | 10.197 ± 0.003 Å |
c | 12.876 ± 0.004 Å |
α | 91.088 ± 0.008° |
β | 93.874 ± 0.007° |
γ | 90.209 ± 0.007° |
Cell volume | 1046.4 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.086 |
Residual factor for significantly intense reflections | 0.0841 |
Weighted residual factors for significantly intense reflections | 0.2036 |
Weighted residual factors for all reflections included in the refinement | 0.2045 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.246 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
286864 (current) | 2023-10-10 | cif/ hkl/ Adding structures of 2022888, 2022889, 2022890, 2022891, 2022892, 2022893, 2022894, 2022895, 2022896, 2022897, 2022898, 2022899 via cif-deposit CGI script. |
2022897.cif 2022897.hkl |
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Users of the data should acknowledge the original authors of the
structural data.