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Information card for entry 7128230
Preview
| Coordinates | 7128230.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H46 Mg N2 |
|---|---|
| Calculated formula | C34 H46 Mg N2 |
| Title of publication | Retro-Diels-Alder decomposition of norbornadiene mediated by a cationic magnesium complex. |
| Authors of publication | Thum, Katharina; Pahl, Jürgen; Eyselein, Jonathan; Elsen, Holger; Langer, Jens; Harder, Sjoerd |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 43 |
| Pages of publication | 5278 - 5281 |
| a | 9.2377 ± 0.0004 Å |
| b | 12.4708 ± 0.0007 Å |
| c | 13.7451 ± 0.0006 Å |
| α | 74.655 ± 0.004° |
| β | 87.535 ± 0.004° |
| γ | 78.126 ± 0.004° |
| Cell volume | 1494.22 ± 0.13 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0549 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1335 |
| Weighted residual factors for all reflections included in the refinement | 0.1384 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7128230.cif |
| 265857 | 2021-06-05 | cif/ Updating files of 7128228, 7128229, 7128230, 7128231, 7128232, 7128233, 7128234, 7128235 Original log message: Adding full bibliography for 7128228--7128235.cif. |
7128230.cif |
| 264560 | 2021-04-27 | cif/ Adding structures of 7128228, 7128229, 7128230, 7128231, 7128232, 7128233, 7128234, 7128235 via cif-deposit CGI script. |
7128230.cif |
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Users of the data should acknowledge the original authors of the
structural data.