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Information card for entry 1568936
Preview
| Coordinates | 1568936.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 9-(Pyrrolidinium-1-yl)-9-boranuidabicyclo[3.3.1]nonane |
|---|---|
| Formula | C12 H24 B N |
| Calculated formula | C12 H24 B N |
| Title of publication | 9-(Pyrrolidinium-1-yl)-9-boranuidabicyclo[3.3.1]nonane |
| Authors of publication | Herbig, Marcus; Böhme, Uwe |
| Journal of publication | IUCrData |
| Year of publication | 2023 |
| Journal volume | 8 |
| Journal issue | 4 |
| a | 10.0432 ± 0.0005 Å |
| b | 12.7045 ± 0.0006 Å |
| c | 14.3846 ± 0.0007 Å |
| α | 81.305 ± 0.004° |
| β | 84.313 ± 0.004° |
| γ | 82.068 ± 0.004° |
| Cell volume | 1791.19 ± 0.15 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0572 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1035 |
| Weighted residual factors for all reflections included in the refinement | 0.1153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282802 (current) | 2023-04-22 | cif/ Adding structures of 1568936 via cif-deposit CGI script. |
1568936.cif |
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Users of the data should acknowledge the original authors of the
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