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Information card for entry 4039025
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| Coordinates | 4039025.cif |
|---|---|
| Structure factors | 4039025.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Benzene-1,2,4,5-tetraamine |
|---|---|
| Formula | C6 H10 N4 |
| Calculated formula | C6 H10 N4 |
| Title of publication | Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds |
| Authors of publication | Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2023 |
| Journal volume | 88 |
| Pages of publication | 16302 - 16314 |
| a | 7.7694 ± 0.0005 Å |
| b | 5.5029 ± 0.0003 Å |
| c | 7.4694 ± 0.0005 Å |
| α | 90° |
| β | 101.064 ± 0.004° |
| γ | 90° |
| Cell volume | 313.41 ± 0.03 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| 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 | 0.0608 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1215 |
| Weighted residual factors for all reflections included in the refinement | 0.1283 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288037 (current) | 2023-12-05 | cif/ hkl/ Adding structures of 4039025 via cif-deposit CGI script. |
4039025.cif 4039025.hkl |
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