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Information card for entry 1551310
Preview
| Coordinates | 1551310.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C252.78 H314.78 Cl14.33 N36 O46 Si2 |
|---|---|
| Calculated formula | C252.808 H156.808 Cl14.424 N36 O46 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 | 17.718 ± 0.0006 Å |
| b | 18.1791 ± 0.0005 Å |
| c | 22.9828 ± 0.0006 Å |
| α | 98.564 ± 0.002° |
| β | 99.814 ± 0.002° |
| γ | 102.609 ± 0.003° |
| Cell volume | 6983.8 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1799 |
| Residual factor for significantly intense reflections | 0.1523 |
| Weighted residual factors for significantly intense reflections | 0.3751 |
| Weighted residual factors for all reflections included in the refinement | 0.3988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.131 |
| 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. |
1551310.cif |
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Users of the data should acknowledge the original authors of the
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