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Information card for entry 7120523
Preview
| Coordinates | 7120523.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H22 N8 O7 |
|---|---|
| Calculated formula | C16 H22 N8 O7 |
| Title of publication | Template-assisted photodimerization of N-unprotected uracil derivatives - Selective formation of the cis-syn photodimer |
| Authors of publication | Weckenmann, Nicole Margrita; Maichle-Moessmer , Caecilia; Nachtsheim, Boris Johannes |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 7.9316 ± 0.001 Å |
| b | 8.1627 ± 0.001 Å |
| c | 16.285 ± 0.002 Å |
| α | 81.196 ± 0.005° |
| β | 78.977 ± 0.006° |
| γ | 74.965 ± 0.005° |
| Cell volume | 993.5 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0627 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.0984 |
| Weighted residual factors for all reflections included in the refinement | 0.11 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199625 (current) | 2017-08-08 | cif/ Adding structures of 7120522, 7120523 via cif-deposit CGI script. |
7120523.cif |
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Users of the data should acknowledge the original authors of the
structural data.