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Information card for entry 7238705
Preview
| Coordinates | 7238705.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H14 N4 O1.063 |
|---|---|
| Calculated formula | C12 H14 N4 O1.063 |
| Title of publication | En route towards α-benzotriazoyl nitroso derivatives |
| Authors of publication | Monbaliu, Jean-Christophe M.; Beagle, Lucas K.; Kovacs, Judit; Zeller, Matthias; Stevens, Christian V.; Katritzky, Alan R. |
| Journal of publication | RSC Advances |
| Year of publication | 2012 |
| Journal volume | 2 |
| Journal issue | 24 |
| Pages of publication | 8941 |
| a | 11.7352 ± 0.0005 Å |
| b | 8.5659 ± 0.0003 Å |
| c | 12.1021 ± 0.0004 Å |
| α | 90° |
| β | 110.616 ± 0.002° |
| γ | 90° |
| Cell volume | 1138.63 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0469 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0976 |
| Weighted residual factors for all reflections included in the refinement | 0.1041 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244305 (current) | 2019-11-28 | cif/ Adding structures of 7238705, 7238706 via cif-deposit CGI script. |
7238705.cif |
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Users of the data should acknowledge the original authors of the
structural data.