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Information card for entry 1557981
Preview
| Coordinates | 1557981.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H40 N2 |
|---|---|
| Calculated formula | C52 H40 N2 |
| SMILES | c1c(cccc1)c1c(c(cc(c1)c1ccccc1)c1ccccc1)/N=C(C)/C(=N/c1c(c2ccccc2)cc(cc1c1ccccc1)c1ccccc1)C |
| Title of publication | 2,4,6-Triphenyl-<i>N</i>-{(3<i>E</i>)-3-[(2,4,6-triphenylphenyl)imino]butan-2-ylidene}aniline |
| Authors of publication | Zhang, Yang; Yu, Fan; Li, Pei; Xu, Mengli; Xu, Guoyong; Li, Weimin; Wang, Fuzhou |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 4 |
| Pages of publication | x200531 |
| a | 6.383 ± 0.008 Å |
| b | 12.498 ± 0.015 Å |
| c | 12.814 ± 0.016 Å |
| α | 68.718 ± 0.011° |
| β | 86.988 ± 0.012° |
| γ | 81.397 ± 0.012° |
| Cell volume | 942 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1092 |
| Residual factor for significantly intense reflections | 0.0595 |
| Weighted residual factors for significantly intense reflections | 0.1303 |
| Weighted residual factors for all reflections included in the refinement | 0.1582 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251361 (current) | 2020-05-01 | cif/ Adding structures of 1557981 via cif-deposit CGI script. |
1557981.cif |
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Users of the data should acknowledge the original authors of the
structural data.