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Information card for entry 4038357
Preview
| Coordinates | 4038357.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H54 Cl10 N4 Pd2 |
|---|---|
| Calculated formula | C30 H54 Cl10 N4 Pd2 |
| Title of publication | Synthesis and Applications of the C2-Symmetrical Diamine, 2,7-diazabicyclo[4.4.1]undecane. |
| Authors of publication | Higgins, Tyler; Winkler, Jeffrey D. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 8.3932 ± 0.0003 Å |
| b | 13.9575 ± 0.0004 Å |
| c | 17.1315 ± 0.0005 Å |
| α | 90° |
| β | 101.894 ± 0.002° |
| γ | 90° |
| Cell volume | 1963.84 ± 0.11 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.033 |
| Residual factor for significantly intense reflections | 0.0268 |
| Weighted residual factors for significantly intense reflections | 0.0539 |
| Weighted residual factors for all reflections included in the refinement | 0.0556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252027 (current) | 2020-05-14 | cif/ Adding structures of 4038357 via cif-deposit CGI script. |
4038357.cif |
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