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Information card for entry 2022372
Preview
Coordinates | 2022372.cif |
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Original paper (by DOI) | HTML |
Formula | C7 H4 Br2 O3 |
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Calculated formula | C7 H4 Br2 O3 |
SMILES | Brc1c(O)c(cc(Br)c1)C(=O)O |
Title of publication | Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids |
Authors of publication | Roy, Monalisa; Li, Keyao; Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2021 |
Journal volume | 77 |
Journal issue | 6 |
Pages of publication | 262 - 270 |
a | 10.3703 ± 0.0004 Å |
b | 10.9444 ± 0.0004 Å |
c | 14.8108 ± 0.0006 Å |
α | 90° |
β | 103.35 ± 0.004° |
γ | 90° |
Cell volume | 1635.55 ± 0.11 Å3 |
Cell temperature | 100.02 ± 0.1 K |
Ambient diffraction temperature | 100.02 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0248 |
Residual factor for significantly intense reflections | 0.0228 |
Weighted residual factors for significantly intense reflections | 0.0588 |
Weighted residual factors for all reflections included in the refinement | 0.0598 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
267275 (current) | 2021-07-06 | cif/ Updating files of 2022370, 2022371, 2022372, 2022373, 2022374, 2022375 Original log message: Adding full bibliography for 2022370--2022375.cif. |
2022372.cif |
265040 | 2021-05-07 | cif/ hkl/ Adding structures of 2022372 via cif-deposit CGI script. |
2022372.cif |
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Users of the data should acknowledge the original authors of the
structural data.