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Information card for entry 1553575
Preview
| Coordinates | 1553575.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | azahelicene dimer |
|---|---|
| Formula | C153.47 H187.47 Cl4.41 N2 Si8 |
| Calculated formula | C153.47 H187.479 Cl4.41 N2 Si8 |
| Title of publication | Synthesis of a figure-eight azahelicene dimer with high emission and CPL properties |
| Authors of publication | Ushiyama, Ayako; Hiroto, Satoru; Yuasa, Junpei; Kawai, Tsuyoshi; Shinokubo, Hiroshi |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 5 |
| Pages of publication | 664 |
| a | 21.2715 ± 0.0003 Å |
| b | 21.2715 ± 0.0003 Å |
| c | 64.3247 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 29105.4 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.1947 |
| Residual factor for significantly intense reflections | 0.1475 |
| Weighted residual factors for significantly intense reflections | 0.3637 |
| Weighted residual factors for all reflections included in the refinement | 0.4128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.172 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235160 (current) | 2019-11-23 | cif/ Adding structures of 1553575 via cif-deposit CGI script. |
1553575.cif |
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