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Information card for entry 1568922
Preview
| Coordinates | 1568922.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H33 K O13 |
|---|---|
| Calculated formula | C34 H33 K O13 |
| Title of publication | Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation. |
| Authors of publication | Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J. |
| Journal of publication | IUCrJ |
| Year of publication | 2023 |
| Journal volume | 10 |
| Journal issue | 3 |
| a | 19.4072 ± 0.0008 Å |
| b | 20.4384 ± 0.0008 Å |
| c | 17.3645 ± 0.0011 Å |
| α | 90° |
| β | 104.006 ± 0.005° |
| γ | 90° |
| Cell volume | 6682.9 ± 0.6 Å3 |
| Cell temperature | 113.15 K |
| Ambient diffraction temperature | 113.15 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 | 0.1026 |
| Residual factor for significantly intense reflections | 0.0798 |
| Weighted residual factors for significantly intense reflections | 0.1886 |
| Weighted residual factors for all reflections included in the refinement | 0.205 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282789 (current) | 2023-04-21 | cif/ Adding structures of 1568921, 1568922, 1568923, 1568924, 1568925, 1568926, 1568927 via cif-deposit CGI script. |
1568922.cif |
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Users of the data should acknowledge the original authors of the
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