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Information card for entry 4132262
Preview
| Coordinates | 4132262.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H80 O10 |
|---|---|
| Calculated formula | C63 H80 O10 |
| Title of publication | Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals. |
| Authors of publication | Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 22 |
| Pages of publication | 6921 - 6930 |
| a | 12.6961 ± 0.001 Å |
| b | 20.7685 ± 0.0018 Å |
| c | 21.3724 ± 0.0018 Å |
| α | 82.538 ± 0.002° |
| β | 89.865 ± 0.002° |
| γ | 89.331 ± 0.002° |
| Cell volume | 5587.3 ± 0.8 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0715 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1198 |
| Weighted residual factors for all reflections included in the refinement | 0.1311 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242258 (current) | 2019-11-26 | cif/ Adding structures of 4132262 via cif-deposit CGI script. |
4132262.cif |
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Users of the data should acknowledge the original authors of the
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