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Information card for entry 1547464
Preview
| Coordinates | 1547464.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 N2 O2 |
|---|---|
| Calculated formula | C20 H18 N2 O2 |
| Title of publication | 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes |
| Authors of publication | Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. |
| Journal of publication | Catal. Sci. Technol. |
| Year of publication | 2017 |
| a | 11.5272 ± 0.0007 Å |
| b | 12.3657 ± 0.0007 Å |
| c | 12.7398 ± 0.0008 Å |
| α | 100.159 ± 0.002° |
| β | 112.561 ± 0.002° |
| γ | 92.319 ± 0.002° |
| Cell volume | 1638.97 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0636 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1161 |
| Weighted residual factors for all reflections included in the refinement | 0.1259 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201485 (current) | 2017-09-29 | cif/ Adding structures of 1547457, 1547458, 1547459, 1547460, 1547461, 1547462, 1547463, 1547464, 1547465, 1547466 via cif-deposit CGI script. |
1547464.cif |
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Users of the data should acknowledge the original authors of the
structural data.