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Information card for entry 7238880
Preview
| Coordinates | 7238880.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | work |
|---|---|
| Formula | C52 H68 O12 |
| Calculated formula | C52 H68 O12 |
| Title of publication | Selective derivatisation of resorcinarene ethers via an ortholithiation approach |
| Authors of publication | Ngodwana, Lonwabo; Kleinhans, Dewald J.; Smuts, Anri-Jacques; van Otterlo, Willem A. L.; Arnott, Gareth E. |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 12 |
| Pages of publication | 3873 |
| a | 10.9142 ± 0.0008 Å |
| b | 14.4914 ± 0.0011 Å |
| c | 16.5792 ± 0.0012 Å |
| α | 68.963 ± 0.001° |
| β | 85.539 ± 0.001° |
| γ | 79.574 ± 0.001° |
| Cell volume | 2406.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0531 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1111 |
| Weighted residual factors for all reflections included in the refinement | 0.1169 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7238880.cif |
| 244442 | 2019-11-28 | cif/ Adding structures of 7238880 via cif-deposit CGI script. |
7238880.cif |
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Users of the data should acknowledge the original authors of the
structural data.