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Information card for entry 7220203
Preview
| Coordinates | 7220203.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 N10 O2 |
|---|---|
| Calculated formula | C4 N10 O2 |
| SMILES | o1nc([n+]2nc3no[n-]c3n2)c(n1)N=N#N |
| Title of publication | A Practical Anodic Oxidation of Aminofurazans to Azofurazans: an environmentally friendly route |
| Authors of publication | Sheremetev, Aleksei B.; Lyalin, Boris V.; Kozeev, Andrei M.; Palysaeva, Nadezhda V.; Struchkova, Marina I.; Suponitsky, Kyrill |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 8.105 ± 0.0009 Å |
| b | 8.5614 ± 0.0009 Å |
| c | 11.3382 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 786.76 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0623 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0683 |
| Weighted residual factors for all reflections included in the refinement | 0.0778 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 135761 (current) | 2015-05-08 | cif/ Adding structures of 7220202, 7220203 via cif-deposit CGI script. |
7220203.cif |
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Users of the data should acknowledge the original authors of the
structural data.