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Information card for entry 4035125
Preview
| Coordinates | 4035125.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H106 N6 O11 |
|---|---|
| Calculated formula | C58 H104 N6 O10.9999 |
| Title of publication | Solution-State Anion Recognition, and Structural Studies, of a Series of Electron-Rich meta-Phenylene Bis(phenylurea) Receptors and Their Self-Assembled Structures. |
| Authors of publication | Gillen, Dermot M.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 17 |
| Pages of publication | 10398 - 10408 |
| a | 18.782 ± 0.002 Å |
| b | 17.2873 ± 0.0018 Å |
| c | 19.209 ± 0.002 Å |
| α | 90° |
| β | 90.113 ± 0.002° |
| γ | 90° |
| Cell volume | 6237 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.98 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.1363 |
| Residual factor for significantly intense reflections | 0.072 |
| Weighted residual factors for significantly intense reflections | 0.1718 |
| Weighted residual factors for all reflections included in the refinement | 0.2018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226611 (current) | 2019-11-11 | cif/ Adding structures of 4035125, 4035126 via cif-deposit CGI script. |
4035125.cif |
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Users of the data should acknowledge the original authors of the
structural data.