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Information card for entry 8105011
Preview
| Coordinates | 8105011.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H29 N3 |
|---|---|
| Calculated formula | C29 H29 N3 |
| SMILES | c1(ccccc1)N(c1ccccc1)c1ccc(cc1)/N=C/c1ccc(cc1)N(CC)CC |
| Title of publication | The crystal structure of (E)-4-((4-(diethylamino)benzylidene)amino)-N,N-diphenylaniline, C29H29N3 |
| Authors of publication | Liu, Yue; Yang, Zhou-Hua; Ni, Jian-Jun; Liu, Zhaod-Di |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 235 |
| Journal issue | 1 |
| Pages of publication | 45 - 47 |
| a | 10.677 ± 0.004 Å |
| b | 11.325 ± 0.004 Å |
| c | 21.53 ± 0.008 Å |
| α | 88.026 ± 0.005° |
| β | 75.646 ± 0.005° |
| γ | 71.504 ± 0.004° |
| Cell volume | 2389 ± 1.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1219 |
| Residual factor for significantly intense reflections | 0.0663 |
| Weighted residual factors for significantly intense reflections | 0.1655 |
| Weighted residual factors for all reflections included in the refinement | 0.2002 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274313 (current) | 2022-04-04 | cif/ Adding structures of 8105011 via cif-deposit CGI script. |
8105011.cif |
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Users of the data should acknowledge the original authors of the
structural data.