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Information card for entry 7240245
Preview
| Coordinates | 7240245.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C132 H292.5 Cl2.5 N88 O123 |
|---|---|
| Calculated formula | C132 H132 Cl2.5 N88 O123.039 |
| Title of publication | A three-in-one crystal of mixed sized cucurbit[n]uril homologues |
| Authors of publication | Danylyuk, Oksana; Sashuk, Volodymyr |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 20.3464 ± 0.0001 Å |
| b | 37.9267 ± 0.0003 Å |
| c | 30.4684 ± 0.0002 Å |
| α | 90° |
| β | 97.04 ± 0.001° |
| γ | 90° |
| Cell volume | 23334.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1194 |
| Residual factor for significantly intense reflections | 0.1021 |
| Weighted residual factors for significantly intense reflections | 0.291 |
| Weighted residual factors for all reflections included in the refinement | 0.3138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249991 (current) | 2020-04-03 | cif/ Adding structures of 7240245 via cif-deposit CGI script. |
7240245.cif |
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