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Information card for entry 7052866
Preview
| Coordinates | 7052866.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C68 H100 F12 K2 O14 P2 |
|---|---|
| Calculated formula | C68 H100 F12 K2 O14 P2 |
| Title of publication | Cation binding resorcinarene bis-crowns: the effect of lower rim alkyl chain length on crystal packing and solid lipid nanoparticles |
| Authors of publication | Helttunen, Kaisa; Salorinne, Kirsi; Barboza, Tahnie; Barbosa, Hélène Campos; Suhonen, Aku; Nissinen, Maija |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2012 |
| Journal volume | 36 |
| Journal issue | 3 |
| Pages of publication | 789 |
| a | 10.1107 ± 0.0005 Å |
| b | 17.0139 ± 0.001 Å |
| c | 22.9177 ± 0.0011 Å |
| α | 109.33 ± 0.003° |
| β | 95.789 ± 0.003° |
| γ | 89.952 ± 0.003° |
| Cell volume | 3698.9 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1565 |
| Residual factor for significantly intense reflections | 0.0969 |
| Weighted residual factors for significantly intense reflections | 0.2355 |
| Weighted residual factors for all reflections included in the refinement | 0.2834 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7052866.cif |
| 180082 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/28. |
7052866.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052866.cif |
| 37723 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7052862, 7052863, 7052864, 7052865, 7052866, 7052867 via cif-deposit CGI script. |
7052866.cif |
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Users of the data should acknowledge the original authors of the
structural data.