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Information card for entry 1551320
Preview
| Coordinates | 1551320.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H69 N11 |
|---|---|
| Calculated formula | C72 H65.7968 N11 |
| 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 | 23.6949 ± 0.0013 Å |
| b | 13.4437 ± 0.0007 Å |
| c | 18.9583 ± 0.0011 Å |
| α | 90° |
| β | 98.83 ± 0.002° |
| γ | 90° |
| Cell volume | 5967.5 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0916 |
| Residual factor for significantly intense reflections | 0.0702 |
| Weighted residual factors for significantly intense reflections | 0.1828 |
| Weighted residual factors for all reflections included in the refinement | 0.2027 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215817 (current) | 2019-06-11 | cif/ Adding structures of 1551320 via cif-deposit CGI script. |
1551320.cif |
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Users of the data should acknowledge the original authors of the
structural data.