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Information card for entry 4516268
Preview
| Coordinates | 4516268.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H22 O10 |
|---|---|
| Calculated formula | C18 H22 O10 |
| Title of publication | Layered 2D Sheetlike Supramolecular Polymers Formed by O–H···Anion Hydrogen Bonds |
| Authors of publication | White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 3 |
| Pages of publication | 1540 |
| a | 19.048 ± 0.009 Å |
| b | 7.493 ± 0.004 Å |
| c | 6.555 ± 0.003 Å |
| α | 90° |
| β | 99.826 ± 0.008° |
| γ | 90° |
| Cell volume | 921.8 ± 0.8 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0533 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for all reflections | 0.1178 |
| Weighted residual factors for significantly intense reflections | 0.1165 |
| Weighted residual factors for all reflections included in the refinement | 0.1172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0329 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4516268.cif |
| 231217 | 2019-11-22 | cif/ Adding structures of 4516263, 4516264, 4516265, 4516266, 4516267, 4516268, 4516269, 4516270 via cif-deposit CGI script. |
4516268.cif |
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Users of the data should acknowledge the original authors of the
structural data.