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Information card for entry 8105157
Preview
| Coordinates | 8105157.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H76 Ca O19 S2 |
|---|---|
| Calculated formula | C44 H76 Ca O19 S2 |
| Title of publication | Crystal structure of triaqua-bis(2-(6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)-1-(2-oxo-2,5-dihydrofuran-3-yl)ethane-1-sulfonato-κ2 O,O′)calcium(II) – ethanol (1/2), C44H76CaO19S2 |
| Authors of publication | Ding, Yuan-Min; Li, Rui-Peng; Chang, Ying-Jie; Zhao, Jie; Liu, Hong-Min; Li, Wen |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 3 |
| Pages of publication | 515 - 517 |
| a | 25.5446 ± 0.0014 Å |
| b | 7.38025 ± 0.00019 Å |
| c | 18.845 ± 0.001 Å |
| α | 90° |
| β | 136.543 ± 0.01° |
| γ | 90° |
| Cell volume | 2443.6 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0425 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.115 |
| Weighted residual factors for all reflections included in the refinement | 0.1161 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| 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 |
|---|---|---|---|
| 274923 (current) | 2022-05-05 | cif/ Adding structures of 8105157 via cif-deposit CGI script. |
8105157.cif |
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Users of the data should acknowledge the original authors of the
structural data.