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Information card for entry 7245631
Preview
| Coordinates | 7245631.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H6 N4 O2 |
|---|---|
| Calculated formula | C8 H6 N4 O2 |
| Title of publication | [3+2] click chemistry approach to tetrazine containing polymers |
| Authors of publication | Chavez, David E.; Tappan, Bryce C.; Kuehl, Valerie A.; Schmalzer, Andrew M.; Leonard, Philip W.; Wu, Ruilian; Imler, Greg H.; Parrish, Damon A. |
| Journal of publication | RSC Advances |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 44 |
| Pages of publication | 28490 - 28493 |
| a | 8.5211 ± 0.0004 Å |
| b | 6.8626 ± 0.0003 Å |
| c | 7.556 ± 0.0004 Å |
| α | 90° |
| β | 101.533 ± 0.001° |
| γ | 90° |
| Cell volume | 432.93 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0494 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0965 |
| Weighted residual factors for all reflections included in the refinement | 0.1039 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278463 (current) | 2022-10-07 | cif/ Adding structures of 7245631 via cif-deposit CGI script. |
7245631.cif |
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Users of the data should acknowledge the original authors of the
structural data.