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Information card for entry 4341217
Preview
| Coordinates | 4341217.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2 H4 N2 O4 |
|---|---|
| Calculated formula | C2 H4 N2 O4 |
| SMILES | O=N(=O)NC(=O)OC |
| Title of publication | Activation of nitrogen brønsted acids: synthesis and reactivity of a new class of nitrogen Acid complexes. |
| Authors of publication | Bohle, D. Scott; Chua, Zhijie |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 20 |
| Pages of publication | 11160 - 11172 |
| a | 7.6247 ± 0.0017 Å |
| b | 7.8003 ± 0.0017 Å |
| c | 8.3539 ± 0.0018 Å |
| α | 80.955 ± 0.002° |
| β | 89.992 ± 0.002° |
| γ | 76.536 ± 0.002° |
| Cell volume | 476.84 ± 0.18 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 | 0.0622 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1643 |
| Weighted residual factors for all reflections included in the refinement | 0.1688 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179515 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/12. |
4341217.cif |
| 126902 | 2014-11-12 | cif/ Updating files of 4341213, 4341214, 4341215, 4341216, 4341217, 4341218, 4341219 Original log message: Adding full bibliography for 4341213--4341219.cif. |
4341217.cif |
| 124990 | 2014-10-07 | cif/ Adding structures of 4341217 via cif-deposit CGI script. |
4341217.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.