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Information card for entry 1577322
Preview
| Coordinates | 1577322.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H38 N4 O9 |
|---|---|
| Calculated formula | C20 H38 N4 O9 |
| Title of publication | Stereocontrol as a tool for shaping abiotic, sequence-defined oligourethanes |
| Authors of publication | Njoku, Sara; Perez Mellor, Ariel F.; Brazard, Johanna; Giuffrida, Simone G.; Dudziak, Wojciech; Besnard, Céline; Bürgi, Thomas; Adachi, Takuji B. M.; Szweda, Róża |
| Journal of publication | Polymer Chemistry |
| Year of publication | 2026 |
| a | 5.8915 ± 0.0013 Å |
| b | 11.084 ± 0.009 Å |
| c | 19.509 ± 0.001 Å |
| α | 81.81 ± 0.04° |
| β | 86.81 ± 0.04° |
| γ | 89.58 ± 0.03° |
| Cell volume | 1259 ± 1.1 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0864 |
| Residual factor for significantly intense reflections | 0.0705 |
| Weighted residual factors for significantly intense reflections | 0.1915 |
| Weighted residual factors for all reflections included in the refinement | 0.2026 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306139 (current) | 2026-05-30 | cif/ Adding structures of 1577321, 1577322 via cif-deposit CGI script. |
1577322.cif |
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Users of the data should acknowledge the original authors of the
structural data.