Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1551311
Preview
| Coordinates | 1551311.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C262.51 H343.02 N40 O52 Si2 |
|---|---|
| Calculated formula | C263.042 H94 N40 O60 Si2 |
| Title of publication | Interplay of secondary and tertiary folding in abiotic foldamers |
| Authors of publication | Mazzier, Daniela; De, Soumen; Wicher, Barbara; Maurizot, Victor; Huc, Ivan |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 16.1473 ± 0.0003 Å |
| b | 36.4163 ± 0.0007 Å |
| c | 26.28 ± 0.0005 Å |
| α | 90° |
| β | 106.983 ± 0.002° |
| γ | 90° |
| Cell volume | 14779.4 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2658 |
| Residual factor for significantly intense reflections | 0.2411 |
| Weighted residual factors for significantly intense reflections | 0.6025 |
| Weighted residual factors for all reflections included in the refinement | 0.6246 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.712 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215798 (current) | 2019-06-11 | cif/ Adding structures of 1551310, 1551311, 1551312 via cif-deposit CGI script. |
1551311.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.