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Information card for entry 7205658
Preview
| Coordinates | 7205658.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C74 H50 N10 O26 |
|---|---|
| Calculated formula | C74 H50 N10 O26 |
| Title of publication | Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer |
| Authors of publication | Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J. |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 9 |
| Pages of publication | 3175 |
| a | 12.2118 ± 0.0013 Å |
| b | 21.065 ± 0.002 Å |
| c | 13.1639 ± 0.0015 Å |
| α | 90° |
| β | 110.508 ± 0.002° |
| γ | 90° |
| Cell volume | 3171.7 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0605 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1005 |
| Weighted residual factors for all reflections included in the refinement | 0.1068 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7205658.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7205658.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205658.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205658.cif |
| 20981 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7205655, 7205656, 7205657, 7205658, 7205659 via cif-deposit CGI script. |
7205658.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.