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Information card for entry 4132341
Preview
| Coordinates | 4132341.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45.5 H59.5 B N3 O2 |
|---|---|
| Calculated formula | C45.5 H59.5 B N3 O2 |
| Title of publication | Cooperative Intramolecular Hydrogen Bonding Strongly Enforces cis-Peptoid Folding |
| Authors of publication | Wijaya, Andrew W.; Nguyen, Andy I.; Roe, Leah T.; Butterfoss, Glenn L.; Spencer, Ryan K.; Li, Nan K.; Zuckermann, Ronald N. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| a | 10.115 ± 0.0001 Å |
| b | 34.973 ± 0.0004 Å |
| c | 11.6068 ± 0.0001 Å |
| α | 90° |
| β | 102.955 ± 0.001° |
| γ | 90° |
| Cell volume | 4001.42 ± 0.07 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 | 0.0512 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1162 |
| Weighted residual factors for all reflections included in the refinement | 0.1174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242325 (current) | 2019-11-26 | cif/ Adding structures of 4132341 via cif-deposit CGI script. |
4132341.cif |
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