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Information card for entry 7117849
Preview
| Coordinates | 7117849.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 5 in manuscript |
|---|---|
| Formula | C28 H52 N4 Si2 |
| Calculated formula | C28 H52 N4 Si2 |
| Title of publication | Bisalkynylated 3,6-diiminocyclohexa-1,4-diene-1,4-diamine |
| Authors of publication | Philipp Biegger; Manuel Schaffroth; Kerstin Brodner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 14844 |
| a | 7.813 ± 0.0018 Å |
| b | 12.886 ± 0.003 Å |
| c | 15.976 ± 0.004 Å |
| α | 102.557 ± 0.005° |
| β | 96.908 ± 0.006° |
| γ | 93.896 ± 0.006° |
| Cell volume | 1551.2 ± 0.6 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 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 | 0.107 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.1219 |
| Weighted residual factors for all reflections included in the refinement | 0.1387 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7117849.cif |
| 158308 | 2015-09-25 | cif/ Adding structures of 7117848, 7117849, 7117850, 7117851, 7117852, 7117853, 7117854 via cif-deposit CGI script. |
7117849.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.