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Information card for entry 1551325
Preview
| Coordinates | 1551325.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C218.02 H246.5 Cl1.5 N35 O1.5 |
|---|---|
| Calculated formula | C218.02 H240.5 Cl1.5 N35 O0.84 |
| 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 | 20.718 ± 0.002 Å |
| b | 20.718 ± 0.002 Å |
| c | 44.992 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 16725 ± 3 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 5 |
| 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 | 0.0963 |
| Residual factor for significantly intense reflections | 0.0737 |
| Weighted residual factors for significantly intense reflections | 0.2022 |
| Weighted residual factors for all reflections included in the refinement | 0.2282 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215822 (current) | 2019-06-11 | cif/ Adding structures of 1551325 via cif-deposit CGI script. |
1551325.cif |
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Users of the data should acknowledge the original authors of the
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