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Information card for entry 2108964
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| Coordinates | 2108964.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | glycyrrhetinic acid isopropyl ester |
|---|---|
| Formula | C33 H52 O4 |
| Calculated formula | C33 H52 O4 |
| Title of publication | Single-crystal-to-single-crystal phase transition of 18β-glycyrrhetinic acid isopropyl ester |
| Authors of publication | Langer, Dominik; Wicher, Barbara; Tykarska, Ewa |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 3 |
| a | 13.1807 ± 0.0003 Å |
| b | 13.2466 ± 0.0004 Å |
| c | 17.2198 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3006.57 ± 0.14 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298.15 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0565 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.1619 |
| Weighted residual factors for all reflections included in the refinement | 0.1656 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274909 (current) | 2022-05-05 | cif/ hkl/ Adding structures of 2108963, 2108964, 2108965, 2108966 via cif-deposit CGI script. |
2108964.cif |
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Users of the data should acknowledge the original authors of the
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