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Information card for entry 3500076
Preview
| Coordinates | 3500076.cif |
|---|
| Chemical name | trans-2,5,7,10-Tetra-azabicyclo(4.4.0)decane |
|---|---|
| Formula | C6 H14 N4 |
| Calculated formula | C6 H14 N4 |
| Title of publication | ? |
| Authors of publication | Maldonado, Ana L.; Flores-Alamo, Marcos |
| Journal of publication | Personal communication to COD |
| Year of publication | 2018 |
| a | 5.2771 ± 0.0014 Å |
| b | 15.911 ± 0.003 Å |
| c | 4.6211 ± 0.0012 Å |
| α | 90° |
| β | 108.58 ± 0.03° |
| γ | 90° |
| Cell volume | 367.78 ± 0.17 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.07 |
| Residual factor for significantly intense reflections | 0.0578 |
| Weighted residual factors for significantly intense reflections | 0.1573 |
| Weighted residual factors for all reflections included in the refinement | 0.1747 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210964 (current) | 2018-09-15 | cif/ Updating files of 3500076 Original log message: Insert: _chemical_name_systematic ; trans-2,5,7,10-Tetra-azabicyclo(4.4.0)decane ; |
3500076.cif |
| 210963 | 2018-09-15 | cif/ Adding structures of 3500076 via cif-deposit CGI script. |
3500076.cif |
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Users of the data should acknowledge the original authors of the
structural data.