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Information card for entry 7241625
Preview
| Coordinates | 7241625.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C82 H96 N6 O |
|---|---|
| Calculated formula | C82 H96 N6 O |
| Title of publication | Preferential N‒H⋯:C hydrogen bonding involving ditopic NH-containing systems and N-heterocyclic carbenes |
| Authors of publication | Kinney, Zacharias J.; Rheingold, Arnold L.; Protasiewicz, John D. |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 69 |
| Pages of publication | 42164 - 42171 |
| a | 13.7938 ± 0.0002 Å |
| b | 14.3012 ± 0.0002 Å |
| c | 19.4614 ± 0.0002 Å |
| α | 78.627 ± 0.001° |
| β | 72.479 ± 0.001° |
| γ | 74.717 ± 0.001° |
| Cell volume | 3502.43 ± 0.08 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0505 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1199 |
| Weighted residual factors for all reflections included in the refinement | 0.1249 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259346 (current) | 2020-11-30 | cif/ Adding structures of 7241625, 7241626, 7241627 via cif-deposit CGI script. |
7241625.cif |
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Users of the data should acknowledge the original authors of the
structural data.