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Information card for entry 1551878
Preview
| Coordinates | 1551878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H129 N12 |
|---|---|
| Calculated formula | C107.995 H116.5 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 | 20.515 ± 0.003 Å |
| b | 28.04 ± 0.004 Å |
| c | 35.607 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 20483 ± 5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1101 |
| Residual factor for significantly intense reflections | 0.0785 |
| Weighted residual factors for significantly intense reflections | 0.1999 |
| Weighted residual factors for all reflections included in the refinement | 0.2184 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.286 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216520 (current) | 2019-06-25 | cif/ Adding structures of 1551878 via cif-deposit CGI script. |
1551878.cif |
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