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Information card for entry 7228078
Preview
| Coordinates | 7228078.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H20 N4 |
|---|---|
| Calculated formula | C24 H20 N4 |
| SMILES | n1cccc(c1)[C@@H]1[C@@H](c2ccncc2)[C@H]([C@@H]1c1cccnc1)c1ccncc1 |
| Title of publication | Regiospecific [2+2] photocycloadditions of an unsymmetrical olefin in the solid state based on metal-mediated assemblies |
| Authors of publication | Chen, Jing-Min; Hou, Yi-Xuan; Zhou, Qian-Kun; Zhang, Hao; Liu, Dong |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 12.112 ± 0.002 Å |
| b | 16.437 ± 0.003 Å |
| c | 19.547 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3891.5 ± 1.2 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0702 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1226 |
| Weighted residual factors for all reflections included in the refinement | 0.1425 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195439 (current) | 2017-04-14 | cif/ Adding structures of 7228076, 7228077, 7228078, 7228079, 7228080 via cif-deposit CGI script. |
7228078.cif |
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Users of the data should acknowledge the original authors of the
structural data.