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Information card for entry 7054167
Preview
| Coordinates | 7054167.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | awc8044 |
|---|---|
| Formula | C88 H104 Br8 O8 |
| Calculated formula | C88 H104 Br8 O8 |
| Title of publication | Synthesis, solid state structures and interfacial properties of new para-phosphonato-O-alkoxy-calix[8]arene derivatives |
| Authors of publication | Perret, Florent; Suwinska, Kinga; Bertino Ghera, Bernard; Parrot-Lopez, Hélène; Coleman, Anthony W. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2007 |
| Journal volume | 31 |
| Journal issue | 6 |
| Pages of publication | 893 - 900 |
| a | 15.8507 ± 0.0003 Å |
| b | 16.6896 ± 0.0003 Å |
| c | 18.4507 ± 0.0004 Å |
| α | 107.079 ± 0.001° |
| β | 90.82 ± 0.001° |
| γ | 114.725 ± 0.001° |
| Cell volume | 4184.8 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.119 |
| Residual factor for significantly intense reflections | 0.079 |
| Weighted residual factors for significantly intense reflections | 0.164 |
| Weighted residual factors for all reflections included in the refinement | 0.181 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7054167.cif |
| 180095 | 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 7/05/41. |
7054167.cif |
| 132200 | 2015-02-21 | cif/7/05/ (antanas@koala.ibt.lt) Updating bibliography for CIFs 7054166, 7054167. |
7054167.cif |
| 113441 | 2014-05-12 | cif/ Adding structures of 7054166, 7054167 via cif-deposit CGI script. |
7054167.cif |
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Users of the data should acknowledge the original authors of the
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