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Information card for entry 2021670
Preview
| Coordinates | 2021670.cif |
|---|---|
| Structure factors | 2021670.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4,4'-(Cyclohexane-1,1-diyl)bis[<i>N</i>,<i>N</i>-bis(4-methoxyphenyl)aniline] |
|---|---|
| Formula | C46 H46 N2 O4 |
| Calculated formula | C46 H46 N2 O4 |
| Title of publication | Tuning the energy level of TAPC: crystal structure and photophysical and electrochemical properties of 4,4'-(cyclohexane-1,1-diyl)bis[<i>N</i>,<i>N</i>-bis(4-methoxyphenyl)aniline] |
| Authors of publication | Lee, Sunhee; Kwak, Soyoung; Lee, Keumhee; Kim, Byung Gi; Kim, Minseong; Wang, Dong Hwan; Han, Won-Sik |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 7 |
| a | 13.1586 ± 0.0005 Å |
| b | 13.1881 ± 0.0006 Å |
| c | 23.6681 ± 0.0012 Å |
| α | 84.996 ± 0.002° |
| β | 88.444 ± 0.002° |
| γ | 67.5 ± 0.002° |
| Cell volume | 3780.1 ± 0.3 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1417 |
| Residual factor for significantly intense reflections | 0.0698 |
| Weighted residual factors for significantly intense reflections | 0.1051 |
| Weighted residual factors for all reflections included in the refinement | 0.1238 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216002 (current) | 2019-06-15 | cif/ hkl/ Adding structures of 2021670 via cif-deposit CGI script. |
2021670.cif 2021670.hkl |
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Users of the data should acknowledge the original authors of the
structural data.