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Information card for entry 7117854
Preview
| Coordinates | 7117854.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 17 in manuscript |
|---|---|
| Formula | C68 H66 Cl0 N4 Si2 |
| Calculated formula | C68 H66 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 | 18.069 ± 0.0012 Å |
| b | 24.9858 ± 0.0017 Å |
| c | 29.3954 ± 0.0019 Å |
| α | 90° |
| β | 101.471 ± 0.0017° |
| γ | 90° |
| Cell volume | 13006 ± 1.5 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1386 |
| Residual factor for significantly intense reflections | 0.0855 |
| Weighted residual factors for significantly intense reflections | 0.1966 |
| Weighted residual factors for all reflections included in the refinement | 0.2237 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 158308 (current) | 2015-09-25 | cif/ Adding structures of 7117848, 7117849, 7117850, 7117851, 7117852, 7117853, 7117854 via cif-deposit CGI script. |
7117854.cif |
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Users of the data should acknowledge the original authors of the
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