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Information card for entry 7227416
Preview
| Coordinates | 7227416.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2 H3 K N2 O3 |
|---|---|
| Calculated formula | C2 H3 K N2 O3 |
| Title of publication | Lewis Acid stabilization and Activation of Primary N-Nitrosamides |
| Authors of publication | Chua, Zhijie; Rosadiuk, Kris; Perepichka, Inna; Bohle, Scott |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| a | 5.8792 ± 0.0007 Å |
| b | 6.8542 ± 0.0008 Å |
| c | 12.8207 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 516.64 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0222 |
| Residual factor for significantly intense reflections | 0.0215 |
| Weighted residual factors for significantly intense reflections | 0.0537 |
| Weighted residual factors for all reflections included in the refinement | 0.0539 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190378 (current) | 2017-01-11 | cif/ Adding structures of 7227414, 7227415, 7227416, 7227417, 7227418, 7227419 via cif-deposit CGI script. |
7227416.cif |
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Users of the data should acknowledge the original authors of the
structural data.