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Information card for entry 8106893
Preview
| Coordinates | 8106893.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H27 N7 O3 |
|---|---|
| Calculated formula | C36 H27 N7 O3 |
| Title of publication | Crystal structure of tris((2-(2,2-dicyanovinyl)phenoxy)ethyl)amine, C36H27N7O3 |
| Authors of publication | Yin, Xiao-Gang; Zuo, Zhen-Yu; Chen, Zhi-Ming; Gong, Wei; Chen, Zhuo |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 415 - 417 |
| a | 8.469 ± 0.003 Å |
| b | 19.345 ± 0.006 Å |
| c | 19.517 ± 0.006 Å |
| α | 90° |
| β | 95.337 ± 0.005° |
| γ | 90° |
| Cell volume | 3183.7 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1444 |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for significantly intense reflections | 0.0958 |
| Weighted residual factors for all reflections included in the refinement | 0.1187 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.87 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281766 (current) | 2023-03-09 | cif/ Adding structures of 8106893 via cif-deposit CGI script. |
8106893.cif |
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Users of the data should acknowledge the original authors of the
structural data.