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Information card for entry 1564332
Preview
| Coordinates | 1564332.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H13 N3 O5 |
|---|---|
| Calculated formula | C9 H13 N3 O5 |
| Title of publication | Single-crystal-to-single-crystal synthesis of a pseudostarch via topochemical azide-alkyne cycloaddition polymerization |
| Authors of publication | Ravi, Arthi; Shijad, Amina; Sureshan, Kana M. |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 6.792 ± 0.002 Å |
| b | 17.062 ± 0.005 Å |
| c | 9.698 ± 0.003 Å |
| α | 90° |
| β | 109.159 ± 0.008° |
| γ | 90° |
| Cell volume | 1061.6 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0885 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.1169 |
| Weighted residual factors for all reflections included in the refinement | 0.1365 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267977 (current) | 2021-08-07 | cif/ Adding structures of 1564331, 1564332 via cif-deposit CGI script. |
1564332.cif |
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Users of the data should acknowledge the original authors of the
structural data.