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Information card for entry 4129566
Preview
| Coordinates | 4129566.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H17 N O3 |
|---|---|
| Calculated formula | C21 H17 N O3 |
| SMILES | c12c3C(=O)N(C(=O)c2cccc1c(cc3)c1ccccc1)CCCO |
| Title of publication | Nonparallel Stacks of Donor and Acceptor Chromophores Evade Geminate Charge Recombination. |
| Authors of publication | Mallia, Ajith R.; Salini, P. S.; Hariharan, Mahesh |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 50 |
| Pages of publication | 15604 - 15607 |
| a | 23.723 Å |
| b | 9.233 Å |
| c | 15.182 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3325.38 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.1154 |
| Residual factor for significantly intense reflections | 0.0753 |
| Weighted residual factors for significantly intense reflections | 0.2037 |
| Weighted residual factors for all reflections included in the refinement | 0.2558 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240263 (current) | 2019-11-25 | cif/ Adding structures of 4129566 via cif-deposit CGI script. |
4129566.cif |
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Users of the data should acknowledge the original authors of the
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