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Information card for entry 4133456
Preview
| Coordinates | 4133456.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H83 N3 O10.5 |
|---|---|
| Calculated formula | C60 H83 N3 O10.5 |
| Title of publication | Post-Synthetic Modification of Nonporous Adaptive Crystals of Pillar[4]arene[1]quinone by Capturing Vaporized Amines. |
| Authors of publication | Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Huang, Feihe |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 44 |
| Pages of publication | 15070 - 15079 |
| a | 18.251 ± 0.002 Å |
| b | 12.4803 ± 0.0013 Å |
| c | 25.254 ± 0.003 Å |
| α | 90° |
| β | 94.868 ± 0.01° |
| γ | 90° |
| Cell volume | 5731.6 ± 1.1 Å3 |
| Cell temperature | 154.7 K |
| Ambient diffraction temperature | 154.7 K |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.2155 |
| Residual factor for significantly intense reflections | 0.1157 |
| Weighted residual factors for significantly intense reflections | 0.2672 |
| Weighted residual factors for all reflections included in the refinement | 0.3411 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243230 (current) | 2019-11-26 | cif/ Adding structures of 4133456 via cif-deposit CGI script. |
4133456.cif |
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Users of the data should acknowledge the original authors of the
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