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Information card for entry 7160704
Preview
| Coordinates | 7160704.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H53 N O2 |
|---|---|
| Calculated formula | C42 H53 N O2 |
| Title of publication | Unlocking Iminodioxocines and Amine-Bis(phenols) via Sterically Guided Ammonia Condensation: A Shortcut to Tunable ONO Pincer Ligands |
| Authors of publication | Strunin, Daniil; Pak, Alexandra; Khakina, Ekaterina; Aksenova, Svetlana; Nelyubina, Yulia V.; Nikovskiy, Igor A. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 9.5731 ± 0.0016 Å |
| b | 13.252 ± 0.002 Å |
| c | 15.012 ± 0.003 Å |
| α | 106.343 ± 0.004° |
| β | 94.889 ± 0.004° |
| γ | 97.001 ± 0.004° |
| Cell volume | 1799.5 ± 0.5 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 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 | 0.1391 |
| Residual factor for significantly intense reflections | 0.0602 |
| Weighted residual factors for significantly intense reflections | 0.1204 |
| Weighted residual factors for all reflections included in the refinement | 0.1516 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301919 (current) | 2025-08-28 | cif/ Adding structures of 7160703, 7160704, 7160705 via cif-deposit CGI script. |
7160704.cif |
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Users of the data should acknowledge the original authors of the
structural data.