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Information card for entry 7234857
Preview
| Coordinates | 7234857.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C72 H126 Gd2 N4 O65 S8 |
|---|---|
| Calculated formula | C72 H126 Gd2 N4 O65 S8 |
| Title of publication | Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene |
| Authors of publication | Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 1 |
| Pages of publication | 52 - 60 |
| a | 15.2241 ± 0.0002 Å |
| b | 17.7001 ± 0.0003 Å |
| c | 20.5479 ± 0.0003 Å |
| α | 100.785 ± 0.001° |
| β | 96.463 ± 0.001° |
| γ | 97.675 ± 0.001° |
| Cell volume | 5336.4 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.046 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0813 |
| Weighted residual factors for all reflections included in the refinement | 0.0861 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| 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. |
7234857.cif |
| 257434 | 2020-10-06 | cif/ Updating files of 7234849, 7234850, 7234851, 7234852, 7234853, 7234854, 7234855, 7234856, 7234857 Original log message: Adding full bibliography for 7234849--7234857.cif. |
7234857.cif |
| 247654 | 2020-02-04 | cif/ Updating files of 7234849, 7234850, 7234851, 7234852, 7234853, 7234854, 7234855, 7234856, 7234857 Original log message: Adding full bibliography for 7234849--7234857.cif. |
7234857.cif |
| 220524 | 2019-10-30 | cif/ Adding structures of 7234849, 7234850, 7234851, 7234852, 7234853, 7234854, 7234855, 7234856, 7234857 via cif-deposit CGI script. |
7234857.cif |
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Users of the data should acknowledge the original authors of the
structural data.