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Information card for entry 2109011
Preview
| Coordinates | 2109011.cif |
|---|---|
| Structure factors | 2109011.hkl |
| Original paper (by DOI) | HTML |
| Formula | C32 H50.57 O4 |
|---|---|
| Calculated formula | C32 H50.568 O4 |
| Title of publication | Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives |
| Authors of publication | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 4 |
| a | 7.1965 ± 0.0002 Å |
| b | 13.3283 ± 0.0002 Å |
| c | 15.0866 ± 0.0003 Å |
| α | 92.599 ± 0.001° |
| β | 94.416 ± 0.002° |
| γ | 98.623 ± 0.002° |
| Cell volume | 1424.08 ± 0.05 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130.15 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0397 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.1001 |
| Weighted residual factors for all reflections included in the refinement | 0.1008 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276889 (current) | 2022-07-23 | cif/ hkl/ Adding structures of 2109009, 2109010, 2109011, 2109012, 2109013, 2109014, 2109015, 2109016, 2109017, 2109018, 2109019 via cif-deposit CGI script. |
2109011.cif 2109011.hkl |
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Users of the data should acknowledge the original authors of the
structural data.