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Information card for entry 7125594
Preview
| Coordinates | 7125594.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H58 |
|---|---|
| Calculated formula | C48 H58 |
| Title of publication | A tetraalkylated pyrene building block for the synthesis of pyrene-fused azaacenes with enhanced solubility. |
| Authors of publication | Kulisic, Niksa; More, Sandeep; Mateo-Alonso, Aurelio |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2011 |
| Journal volume | 47 |
| Journal issue | 1 |
| Pages of publication | 514 - 516 |
| a | 8.4918 ± 0.0006 Å |
| b | 9.8418 ± 0.0013 Å |
| c | 12.6119 ± 0.0014 Å |
| α | 101.641 ± 0.004° |
| β | 109.323 ± 0.006° |
| γ | 96.475 ± 0.007° |
| Cell volume | 955.64 ± 0.19 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1383 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.1114 |
| Weighted residual factors for all reflections included in the refinement | 0.1439 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.924 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244113 (current) | 2019-11-28 | cif/ Adding structures of 7125594 via cif-deposit CGI script. |
7125594.cif |
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Users of the data should acknowledge the original authors of the
structural data.