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Information card for entry 1563958
Preview
| Coordinates | 1563958.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 N2 O5 |
|---|---|
| Calculated formula | C18 H18 N2 O5 |
| Title of publication | 1,2-Bis(4-(1,3-dioxolan-2-yl)phenyl)diazene Oxide |
| Authors of publication | Spesivaya, Ekaterina S.; Lupanova, Ida A.; Konshina, Dzhamilya N.; Konshin, Valery V. |
| Journal of publication | Molbank |
| Year of publication | 2021 |
| Journal volume | 2021 |
| Journal issue | 2 |
| Pages of publication | M1224 |
| a | 4.5333 ± 0.0007 Å |
| b | 21.946 ± 0.004 Å |
| c | 15.968 ± 0.003 Å |
| α | 90° |
| β | 95.627 ± 0.004° |
| γ | 90° |
| Cell volume | 1581 ± 0.5 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 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 | 0.1119 |
| Residual factor for significantly intense reflections | 0.0636 |
| Weighted residual factors for significantly intense reflections | 0.1395 |
| Weighted residual factors for all reflections included in the refinement | 0.1635 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267265 (current) | 2021-07-06 | cif/ Adding structures of 1563958 via cif-deposit CGI script. |
1563958.cif |
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Users of the data should acknowledge the original authors of the
structural data.