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Information card for entry 4035877
Preview
| Coordinates | 4035877.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H31 N9 O8 S2 |
|---|---|
| Calculated formula | C34 H31 N9 O8 S2 |
| Title of publication | Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State. |
| Authors of publication | Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 3 |
| Pages of publication | 1502 - 1509 |
| a | 7.975 ± 0.003 Å |
| b | 22.255 ± 0.007 Å |
| c | 20.676 ± 0.007 Å |
| α | 90° |
| β | 98.222 ± 0.006° |
| γ | 90° |
| Cell volume | 3632 ± 2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1196 |
| Residual factor for significantly intense reflections | 0.097 |
| Weighted residual factors for significantly intense reflections | 0.2257 |
| Weighted residual factors for all reflections included in the refinement | 0.2462 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227285 (current) | 2019-11-11 | cif/ Adding structures of 4035877 via cif-deposit CGI script. |
4035877.cif |
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Users of the data should acknowledge the original authors of the
structural data.