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Information card for entry 7219951
Preview
| Coordinates | 7219951.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 5,11,17,23-tetra-tert-butyl[25,27-dihydroxy-26,28-bis(diethylamineH)ethoxy] calix[4]arene bis[2,4-dichlorophenoxyacetate] monohydrate |
|---|---|
| Formula | C72 H96 Cl4 N2 O11 |
| Calculated formula | C72 H96 Cl4 N2 O11 |
| Title of publication | Calix[4]arene amine modified silica : From fundamentals to new recyclable materials for the removal of chlorophenoxy acids from water |
| Authors of publication | Danil de Namor, Angela F.; ZVIETCOVICH-GUERRA, JORGE A; VILLANUEVA, JOSE A; Piro, Oscar E.; WEBB, OLIVER A; EL GAMOUZ, ABDELAZIZ; ABOU HAMDAN, WEAM; Castellano, Eduardo Ernesto |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 22.256 ± 0.001 Å |
| b | 14.171 ± 0.001 Å |
| c | 24.719 ± 0.001 Å |
| α | 90° |
| β | 111.97 ± 0.01° |
| γ | 90° |
| Cell volume | 7230 ± 0.8 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0748 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1256 |
| Weighted residual factors for all reflections included in the refinement | 0.1474 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7219951.cif |
| 180530 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/99. |
7219951.cif |
| 134148 | 2015-03-19 | cif/ Adding structures of 7219951 via cif-deposit CGI script. |
7219951.cif |
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