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Information card for entry 4134328
Preview
| Coordinates | 4134328.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C95 H134 Fe2 N6 |
|---|---|
| Calculated formula | C95 H136 Fe2 N6 |
| Title of publication | Investigations into the Mechanism of Inter- and Intramolecular Iron-Catalyzed [2+2] Cycloaddition of Alkenes. |
| Authors of publication | Joannou, Matthew V.; Hoyt, Jordan M.; Chirik, Paul J. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 21.604 ± 0.005 Å |
| b | 21.604 ± 0.005 Å |
| c | 8.778 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4097 ± 1.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 113 |
| Hermann-Mauguin space group symbol | P -4 21 m |
| Hall space group symbol | P -4 2ab |
| Residual factor for all reflections | 0.0583 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.0988 |
| Weighted residual factors for all reflections included in the refinement | 0.1046 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248849 (current) | 2020-03-05 | cif/ Adding structures of 4134328, 4134329, 4134330 via cif-deposit CGI script. |
4134328.cif |
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Users of the data should acknowledge the original authors of the
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