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Information card for entry 1546040
Preview
| Coordinates | 1546040.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H68 N4 O5 Si2 |
|---|---|
| Calculated formula | C37 H68 N4 O5 Si2 |
| Title of publication | Hydrophobic α,α-Disubstituted Disilylated TESDpg Induces Incipient 310-Helix in Short Tripeptide Sequence |
| Authors of publication | Fanelli, Roberto; Berthomieu, Dorothée; Didierjean, Claude; Doudouh, Abdelatif; Lebrun, Aurélien; Martinez, Jean; Cavelier, Florine |
| Journal of publication | Organic Letters |
| Year of publication | 2017 |
| a | 12.6926 ± 0.0001 Å |
| b | 21.4026 ± 0.0002 Å |
| c | 47.9632 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 13029.4 ± 0.18 Å3 |
| Cell temperature | 100.9 ± 0.6 K |
| Ambient diffraction temperature | 100.9 ± 0.6 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0381 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0909 |
| Weighted residual factors for all reflections included in the refinement | 0.094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196698 (current) | 2017-05-18 | cif/ Adding structures of 1546040 via cif-deposit CGI script. |
1546040.cif |
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