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Information card for entry 1556430
Preview
| Coordinates | 1556430.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H13 N O |
|---|---|
| Calculated formula | C20 H13 N O |
| SMILES | c12c3c(nccc3c3c4c2cccc4ccc3)c(OC)cc1 |
| Title of publication | Propeller-Shaped Aluminum Complexes with an Azaperylene Core in the Ligands |
| Authors of publication | Tsukao, M.; Hashikawa, Y.; Toyama, N.; Muraoka, M.; Murata, M.; Sasamori, T.; Wakamiya, A.; Murata, Y. |
| Journal of publication | Inorganics |
| Year of publication | 2019 |
| Journal volume | 7 |
| Pages of publication | 109 |
| a | 6.9224 ± 0.0007 Å |
| b | 8.8551 ± 0.0009 Å |
| c | 21.377 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1310.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.028 |
| Residual factor for significantly intense reflections | 0.0268 |
| Weighted residual factors for significantly intense reflections | 0.0709 |
| Weighted residual factors for all reflections included in the refinement | 0.0719 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244927 (current) | 2019-12-06 | cif/ Adding structures of 1556430 via cif-deposit CGI script. |
1556430.cif |
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