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Information card for entry 1559103
Preview
| Coordinates | 1559103.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C73.5 H92 N4 O4 Si2 |
|---|---|
| Calculated formula | C73.5 H92 N4 O4 Si2 |
| Title of publication | Regiocontrolled Dimerization of Asymmetric Diazaheptacene Derivatives Toward X-shaped Porous Semiconductors |
| Authors of publication | Zhang , Guowei; Zhang, Lei; Lv, Aifeng; Yang, Xingzhou; Zheng, Yonghao; Gu, Wen; Xue, Ning |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 12.4231 ± 0.0004 Å |
| b | 13.9327 ± 0.0005 Å |
| c | 21.1782 ± 0.0007 Å |
| α | 96.811 ± 0.003° |
| β | 101.236 ± 0.003° |
| γ | 108.67 ± 0.003° |
| Cell volume | 3341 ± 0.2 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1201 |
| Residual factor for significantly intense reflections | 0.0818 |
| Weighted residual factors for significantly intense reflections | 0.22 |
| Weighted residual factors for all reflections included in the refinement | 0.2446 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256483 (current) | 2020-09-17 | cif/ Adding structures of 1559103, 1559104, 1559105 via cif-deposit CGI script. |
1559103.cif |
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Users of the data should acknowledge the original authors of the
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