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Information card for entry 7214355
Preview
| Coordinates | 7214355.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C133.5 H197 N8 O37.5 |
|---|---|
| Calculated formula | C133.5 H197 N8 O37.5 |
| Title of publication | Experiences with applications of macromolecular tools in supramolecular crystallography |
| Authors of publication | Wierzbicki, Michał; Gilski, Mirosław; Rissanen, Kari; Jaskólski, Mariusz; Szumna, Agnieszka |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 18 |
| Pages of publication | 3773 |
| a | 15.7322 ± 0.0004 Å |
| b | 24.0717 ± 0.0007 Å |
| c | 41.3778 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 15669.8 ± 0.8 Å3 |
| Cell temperature | 148 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0815 |
| Residual factor for significantly intense reflections | 0.0757 |
| Weighted residual factors for significantly intense reflections | 0.1964 |
| Weighted residual factors for all reflections included in the refinement | 0.201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7214355.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7214355.cif |
| 109294 | 2014-04-10 | cif/ Adding structures of 7214354, 7214355 via cif-deposit CGI script. |
7214355.cif |
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Users of the data should acknowledge the original authors of the
structural data.