Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4038358
Preview
| Coordinates | 4038358.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H23 N7 O11 |
|---|---|
| Calculated formula | C22 H23 N7 O11 |
| 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 | 17.7611 ± 0.0012 Å |
| b | 6.7132 ± 0.0004 Å |
| c | 21.4546 ± 0.0014 Å |
| α | 90° |
| β | 108.886 ± 0.002° |
| γ | 90° |
| Cell volume | 2420.4 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0664 |
| Residual factor for significantly intense reflections | 0.0545 |
| Weighted residual factors for significantly intense reflections | 0.1456 |
| Weighted residual factors for all reflections included in the refinement | 0.1561 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252028 (current) | 2020-05-14 | cif/ Adding structures of 4038358 via cif-deposit CGI script. |
4038358.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.