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Information card for entry 7711743
Preview
| Coordinates | 7711743.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H3 N7 O3 |
|---|---|
| Calculated formula | C4 H3 N7 O3 |
| Title of publication | Effects of nitric acid concentration for nitration of fused [1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-diamine |
| Authors of publication | Shreeve, Jean'ne M.; Chinnam, Ajay Kumar; Tang, Yongxing; Staples, Richard J. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 13.2552 ± 0.0015 Å |
| b | 6.7087 ± 0.0008 Å |
| c | 7.6337 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 678.83 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0789 |
| Residual factor for significantly intense reflections | 0.0639 |
| Weighted residual factors for significantly intense reflections | 0.1683 |
| Weighted residual factors for all reflections included in the refinement | 0.1845 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279220 (current) | 2022-11-11 | cif/ Adding structures of 7711743, 7711744, 7711745 via cif-deposit CGI script. |
7711743.cif |
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Users of the data should acknowledge the original authors of the
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