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Information card for entry 1543133
Preview
| Coordinates | 1543133.cif |
|---|---|
| Structure factors | 1543133.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (1<i>E</i>,2<i>E</i>)-<i>N</i>^1^,<i>N</i>^2^-Bis(5'-methyl-[1,1':3',1''-\ terphenyl]-4'-yl)acenaphthylene-1,2-diimine unknown solvent |
|---|---|
| Formula | C50 H36 N2 |
| Calculated formula | C50 H36 N2 |
| SMILES | c1(ccccc1)c1cc(c(c(c1)c1ccccc1)N=C1C(c2cccc3cccc1c23)=Nc1c(cc(cc1C)c1ccccc1)c1ccccc1)C |
| Title of publication | (1<i>E</i>,2<i>E</i>)-<i>N</i>^1^,<i>N</i>^2^-Bis(5'-methyl-[1,1':3',1''-terphenyl]-4'-yl)acenaphthylene-1,2-diimine unknown solvent |
| Authors of publication | Zhu, Liqiong; Zhao, Yan |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 4 |
| Pages of publication | x160594 |
| a | 15.579 ± 0.003 Å |
| b | 16.799 ± 0.004 Å |
| c | 17.332 ± 0.004 Å |
| α | 72.622 ± 0.002° |
| β | 73.116 ± 0.002° |
| γ | 84.324 ± 0.002° |
| Cell volume | 4142 ± 1.6 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 | 0.1653 |
| Residual factor for significantly intense reflections | 0.065 |
| Weighted residual factors for significantly intense reflections | 0.1296 |
| Weighted residual factors for all reflections included in the refinement | 0.144 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182166 (current) | 2016-04-16 | cif/ hkl/ Adding structures of 1543133 via cif-deposit CGI script. |
1543133.cif 1543133.hkl |
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