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Information card for entry 2004837
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| Coordinates | 2004837.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 4,4-Dibenzyl-1,4-dihydroisoquinoline |
|---|---|
| Chemical name | 4,4-Dibenzyl-1,4-dihydroisoquinoline |
| Formula | C23 H21 N |
| Calculated formula | C23 H21 N |
| SMILES | N1=CC(c2ccccc2C1)(Cc1ccccc1)Cc1ccccc1 |
| Title of publication | 4,4-Dibenzyl-1,4-dihydroisoquinoline |
| Authors of publication | Minter, D. E.; Hinkle, K. W.; Krawiec, M.; Watson, W. H. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 5 |
| Pages of publication | 1236 - 1238 |
| a | 14.891 ± 0.002 Å |
| b | 7.3102 ± 0.0011 Å |
| c | 16.1682 ± 0.001 Å |
| α | 90° |
| β | 92.38 ± 0.007° |
| γ | 90° |
| Cell volume | 1758.5 ± 0.4 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 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 | 0.0603 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for all reflections | 0.1022 |
| Weighted residual factors for significantly intense reflections | 0.1022 |
| Goodness-of-fit parameter for all reflections | 2.26 |
| Goodness-of-fit parameter for significantly intense reflections | 2.26 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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