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Information card for entry 1551322
Preview
| Coordinates | 1551322.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C216 H237 N35 |
|---|---|
| Calculated formula | C216 H234 N35 |
| Title of publication | Trapping virtual pores by crystal retro-engineering |
| Authors of publication | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper |
| Journal of publication | Nature Chemistry |
| Year of publication | 2015 |
| Journal volume | 7 |
| Pages of publication | 153 - 159 |
| a | 20.804 ± 0.003 Å |
| b | 20.804 ± 0.003 Å |
| c | 45.126 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 16914 ± 4 Å3 |
| Cell temperature | 400 ± 2 K |
| Ambient diffraction temperature | 450 K |
| Number of distinct elements | 3 |
| Space group number | 155 |
| Hermann-Mauguin space group symbol | R 3 2 :H |
| Hall space group symbol | R 3 2" |
| Residual factor for all reflections | 0.0892 |
| Residual factor for significantly intense reflections | 0.0678 |
| Weighted residual factors for significantly intense reflections | 0.1934 |
| Weighted residual factors for all reflections included in the refinement | 0.2233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.710747 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215819 (current) | 2019-06-11 | cif/ Adding structures of 1551322 via cif-deposit CGI script. |
1551322.cif |
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Users of the data should acknowledge the original authors of the
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