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Information card for entry 1573725
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| Coordinates | 1573725.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | benzo[c]phenanthro[9,10-a]phenanthridine |
|---|---|
| Formula | C29 H17 N |
| Calculated formula | C29 H17 N |
| Title of publication | Rapid access to functionalized nanographenes through a palladium-catalyzed multi-annulation sequence |
| Authors of publication | Maekawa, Takehisa; Itami, Kenichiro |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 10.4701 ± 0.0003 Å |
| b | 8.8984 ± 0.0002 Å |
| c | 19.622 ± 0.0005 Å |
| α | 90° |
| β | 99.531 ± 0.003° |
| γ | 90° |
| Cell volume | 1802.89 ± 0.08 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0382 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.0809 |
| Weighted residual factors for all reflections included in the refinement | 0.0843 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297392 (current) | 2025-01-22 | cif/ Adding structures of 1573725 via cif-deposit CGI script. |
1573725.cif |
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