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Information card for entry 7236695
Preview
| Coordinates | 7236695.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H86 N8 O14 |
|---|---|
| Calculated formula | C56 H86 N8 O14 |
| Title of publication | Formation of toroids by self-assembly of an α–α corner mimetic: supramolecular cyclization |
| Authors of publication | Podder, Debasish; Bera, Santu; Debnath, Mintu; Das, Tanmay; Haldar, Debasish |
| Journal of publication | Journal of Materials Chemistry B |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 36 |
| Pages of publication | 7583 |
| a | 9.9937 ± 0.0002 Å |
| b | 9.9937 ± 0.0002 Å |
| c | 64.144 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6406.3 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.0873 |
| Residual factor for significantly intense reflections | 0.066 |
| Weighted residual factors for significantly intense reflections | 0.1601 |
| Weighted residual factors for all reflections included in the refinement | 0.1727 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation probe | x-ray |
| 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. |
7236695.cif |
| 236434 | 2019-11-24 | cif/ Adding structures of 7236695 via cif-deposit CGI script. |
7236695.cif |
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Users of the data should acknowledge the original authors of the
structural data.