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Information card for entry 4132371
Preview
| Coordinates | 4132371.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C110 H162 Cl8 N2 O24 |
|---|---|
| Calculated formula | C110 H162 Cl8 N2 O24 |
| Title of publication | Spontaneous Assembly of Rotaxanes from a Primary Amine, Crown Ether and Electrophile. |
| Authors of publication | Fielden, Stephen D. P.; Leigh, David A.; McTernan, Charlie T.; Pérez-Saavedra, Borja; Vitorica-Yrezabal, Iñigo J |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 19 |
| Pages of publication | 6049 - 6052 |
| a | 18.85077 ± 0.00014 Å |
| b | 15.97613 ± 0.0001 Å |
| c | 38.4073 ± 0.0003 Å |
| α | 90° |
| β | 95.6287 ± 0.0006° |
| γ | 90° |
| Cell volume | 11511.1 ± 0.14 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1369 |
| Residual factor for significantly intense reflections | 0.1111 |
| Weighted residual factors for significantly intense reflections | 0.3306 |
| Weighted residual factors for all reflections included in the refinement | 0.3547 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.334 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.6889 Å |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242354 (current) | 2019-11-26 | cif/ Adding structures of 4132371 via cif-deposit CGI script. |
4132371.cif |
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