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Information card for entry 1562397
Preview
| Coordinates | 1562397.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C104 H76 B4 N4 |
|---|---|
| Calculated formula | C104 H76 B4 N4 |
| Title of publication | Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene – Access to Tetra Lewis Acids |
| Authors of publication | Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 14.0002 ± 0.0004 Å |
| b | 40.895 ± 0.0012 Å |
| c | 17.3331 ± 0.0006 Å |
| α | 90° |
| β | 91.677 ± 0.003° |
| γ | 90° |
| Cell volume | 9919.6 ± 0.5 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1196 |
| Residual factor for significantly intense reflections | 0.0871 |
| Weighted residual factors for significantly intense reflections | 0.2509 |
| Weighted residual factors for all reflections included in the refinement | 0.2793 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| 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 |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1562397.cif |
| 265012 | 2021-05-07 | cif/ Adding structures of 1562390, 1562391, 1562392, 1562393, 1562394, 1562395, 1562396, 1562397, 1562398, 1562399, 1562400, 1562401 via cif-deposit CGI script. |
1562397.cif |
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Users of the data should acknowledge the original authors of the
structural data.