Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1551329
Preview
| Coordinates | 1551329.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C83 H137 N12 O15 |
|---|---|
| Calculated formula | C83 H129 N12 O15 |
| 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 | 21.644 ± 0.0009 Å |
| b | 19.7822 ± 0.0008 Å |
| c | 23.2696 ± 0.0015 Å |
| α | 90° |
| β | 105.704 ± 0.001° |
| γ | 90° |
| Cell volume | 9591.4 ± 0.8 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | I 1 2 1 |
| Hall space group symbol | I 2y |
| Residual factor for all reflections | 0.1234 |
| Residual factor for significantly intense reflections | 0.1152 |
| Weighted residual factors for significantly intense reflections | 0.3264 |
| Weighted residual factors for all reflections included in the refinement | 0.3387 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.6 |
| 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 |
|---|---|---|---|
| 215826 (current) | 2019-06-11 | cif/ Adding structures of 1551329 via cif-deposit CGI script. |
1551329.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.