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Information card for entry 4038359
Preview
| Coordinates | 4038359.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H108 Li8 N4 O4 |
|---|---|
| Calculated formula | C46 H108 Li8 N4 O4 |
| 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 | 16.5022 ± 0.0018 Å |
| b | 10.2548 ± 0.0011 Å |
| c | 17.2164 ± 0.0017 Å |
| α | 90° |
| β | 104.336 ± 0.004° |
| γ | 90° |
| Cell volume | 2822.8 ± 0.5 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 | 0.049 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.104 |
| Weighted residual factors for all reflections included in the refinement | 0.1078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252029 (current) | 2020-05-14 | cif/ Adding structures of 4038359 via cif-deposit CGI script. |
4038359.cif |
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Users of the data should acknowledge the original authors of the
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