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Information card for entry 2023356
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| Coordinates | 2023356.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 4,4'-Methylenebis(2,6-diethylaniline) |
|---|---|
| Chemical name | 4,4'-(Methanediyl)bis(2,6-diethylaniline) |
| Formula | C21 H30 N2 |
| Calculated formula | C21 H30 N2 |
| Title of publication | Synthesis and crystal structures of 4,4′-methylenebis(2,6-diethylaniline) and 4,4′-methylenebis(3-chloro-2,6-diethylaniline) |
| Authors of publication | Smirnov, Daniil E.; Morozov, Oleg S.; Afanasyeva, Ekaterina S.; Avdeev, Viktor V. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 2 |
| a | 8.9895 ± 0.0003 Å |
| b | 11.8589 ± 0.0003 Å |
| c | 17.6765 ± 0.0005 Å |
| α | 90° |
| β | 102.419 ± 0.0011° |
| γ | 90° |
| Cell volume | 1840.32 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0525 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.132 |
| Weighted residual factors for all reflections included in the refinement | 0.1345 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297375 (current) | 2025-01-18 | cif/ Adding structures of 2023356, 2023357 via cif-deposit CGI script. |
2023356.cif |
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