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Information card for entry 2023137
Preview
| Coordinates | 2023137.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2,9-Diamino-5,6,11,12-tetrahydrodibenzo[a,e][8]annulene |
|---|---|
| Formula | C16 H18 N2 |
| Calculated formula | C16 H18 N2 |
| Title of publication | Synthesis and crystal structure of 2,9-diamino-5,6,11,12-tetrahydrodibenzo[a,e]cyclooctene |
| Authors of publication | Valdez, Nichole; Nagel, Eric; Redline, Erica; Rodriguez, Mark; Staiger, Chad; Dugger, Jason; Foster, Jeffrey |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 6 |
| a | 8.8641 ± 0.0003 Å |
| b | 22.0075 ± 0.0006 Å |
| c | 6.2771 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1224.52 ± 0.07 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0593 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.0982 |
| Weighted residual factors for all reflections included in the refinement | 0.1063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291980 (current) | 2024-05-22 | cif/ Adding structures of 2023137 via cif-deposit CGI script. |
2023137.cif |
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