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Information card for entry 2242858
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| Coordinates | 2242858.cif |
|---|---|
| Structure factors | 2242858.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 5,11,17,23-Tetramethyl-4,24:6,10:12,16:18,22-tetrakis(methylenedioxy)resorcin[4]arene acetic acid disolvate |
|---|---|
| Formula | C41 H40 O14 |
| Calculated formula | C41 H40 O14 |
| Title of publication | Host‒guest supramolecular interactions between a resorcinarene-based cavitand bearing a ‒COOH moiety and acetic acid |
| Authors of publication | Pedrini, Alessandro |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 3 |
| Pages of publication | 397 - 401 |
| a | 11.7576 ± 0.0007 Å |
| b | 11.9561 ± 0.0008 Å |
| c | 14.1979 ± 0.0009 Å |
| α | 91.71 ± 0.001° |
| β | 105.728 ± 0.001° |
| γ | 111.98 ± 0.001° |
| Cell volume | 1762.13 ± 0.19 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1018 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.1882 |
| Weighted residual factors for all reflections included in the refinement | 0.2207 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213811 (current) | 2019-02-23 | cif/ hkl/ Adding structures of 2242858 via cif-deposit CGI script. |
2242858.cif 2242858.hkl |
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