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Information card for entry 1551879
Preview
| Coordinates | 1551879.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H104 N12 |
|---|---|
| Calculated formula | C86.396 H101.995 N12 |
| Title of publication | Molecular shape sorting using molecular organic cages |
| Authors of publication | Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper |
| Journal of publication | Nature Chemistry |
| Year of publication | 2013 |
| Journal volume | 5 |
| Pages of publication | 276 - 281 |
| a | 17.5354 ± 0.001 Å |
| b | 18.0598 ± 0.0011 Å |
| c | 24.493 ± 0.002 Å |
| α | 90° |
| β | 90.554 ± 0.001° |
| γ | 90° |
| Cell volume | 7756.2 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | I 1 2 1 |
| Hall space group symbol | I 2y |
| Residual factor for all reflections | 0.0715 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.1444 |
| Weighted residual factors for all reflections included in the refinement | 0.1533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216521 (current) | 2019-06-25 | cif/ Adding structures of 1551879 via cif-deposit CGI script. |
1551879.cif |
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