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Information card for entry 1568524
Preview
| Coordinates | 1568524.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H24 Ag Cl N2 O4 |
|---|---|
| Calculated formula | C22 H24 Ag Cl N2 O4 |
| Title of publication | 1-Azahomocubane. |
| Authors of publication | Fahrenhorst-Jones, Tyler; Marshall, David L.; Burns, Jed M.; Pierens, Gregory K.; Hormann, Robert E.; Fisher, Allison M.; Bernhardt, Paul V.; Blanksby, Stephen J.; Savage, G. Paul; Eaton, Philip E.; Williams, Craig M. |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 11 |
| Pages of publication | 2821 - 2825 |
| a | 11.4539 ± 0.0015 Å |
| b | 15.5189 ± 0.0019 Å |
| c | 11.6854 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2077.1 ± 0.4 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0591 |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for significantly intense reflections | 0.1552 |
| Weighted residual factors for all reflections included in the refinement | 0.1649 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282295 (current) | 2023-04-04 | cif/ Updating files of 1568524 Original log message: Adding full bibliography for 1568524.cif. |
1568524.cif |
| 281100 | 2023-02-23 | cif/ Adding structures of 1568524 via cif-deposit CGI script. |
1568524.cif |
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Users of the data should acknowledge the original authors of the
structural data.