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Information card for entry 4035304
Preview
| Coordinates | 4035304.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H22 Cl6 N2 O3 |
|---|---|
| Calculated formula | C23 H22 Cl6 N2 O3 |
| Title of publication | Metal-free Annulation at the Ortho- and Bay-Positions of Perylene Bisimide Leading to Lateral π-Extension with Strong NIR Absorption. |
| Authors of publication | Regar, Ramprasad; Mishra, Ruchika; Mondal, Pradip Kumar; Sankar, Jeyaraman |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 16 |
| Pages of publication | 9547 - 9552 |
| a | 6.463 ± 0.004 Å |
| b | 25.511 ± 0.011 Å |
| c | 15.188 ± 0.008 Å |
| α | 90° |
| β | 98.83 ± 0.03° |
| γ | 90° |
| Cell volume | 2474 ± 2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.27 |
| Residual factor for significantly intense reflections | 0.0997 |
| Weighted residual factors for significantly intense reflections | 0.1518 |
| Weighted residual factors for all reflections included in the refinement | 0.1999 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226768 (current) | 2019-11-11 | cif/ Adding structures of 4035304 via cif-deposit CGI script. |
4035304.cif |
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Users of the data should acknowledge the original authors of the
structural data.