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Information card for entry 7223957
Preview
| Coordinates | 7223957.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H52 Cl6 N4 O20 |
|---|---|
| Calculated formula | C63 H52 Cl6 N4 O20 |
| Title of publication | Pillar[5]arene derivatives containing two dinitrophenyl rings: Syntheses, conformations and the tubular self assembly in the solid state |
| Authors of publication | Xue, Min; Xu, Xiaoyan; An, Jianggen; Wang, Jie; Yang, Yong; Liu, Yongsong |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 24.236 ± 0.003 Å |
| b | 15.7969 ± 0.001 Å |
| c | 20.4001 ± 0.0019 Å |
| α | 90° |
| β | 122.48 ± 0.014° |
| γ | 90° |
| Cell volume | 6588.6 ± 1.5 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0948 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1596 |
| Weighted residual factors for all reflections included in the refinement | 0.1856 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 174786 (current) | 2016-01-22 | cif/ Adding structures of 7223956, 7223957 via cif-deposit CGI script. |
7223957.cif |
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Users of the data should acknowledge the original authors of the
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