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Information card for entry 4135209
Preview
| Coordinates | 4135209.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C61 H78 N4 O10 |
|---|---|
| Calculated formula | C61 H78 N4 O10 |
| Title of publication | Transformation of Nonporous Adaptive Pillar[4]arene[1]quinone Crystals into Fluorescent Crystals via Multi-Step Solid-Vapor Postsynthetic Modification for Fluorescence Turn-on Sensing of Ethylenediamine. |
| Authors of publication | Li, Errui; Jie, Kecheng; Fang, Yu; Cai, Peiyu; Huang, Feihe |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 11.6082 ± 0.0004 Å |
| b | 12.8385 ± 0.0004 Å |
| c | 21.5239 ± 0.0007 Å |
| α | 75.264 ± 0.001° |
| β | 81.793 ± 0.001° |
| γ | 65.578 ± 0.001° |
| Cell volume | 2822.09 ± 0.16 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0765 |
| Residual factor for significantly intense reflections | 0.0645 |
| Weighted residual factors for significantly intense reflections | 0.1781 |
| Weighted residual factors for all reflections included in the refinement | 0.1871 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4135209.cif |
| 255693 | 2020-08-28 | cif/ Adding structures of 4135209 via cif-deposit CGI script. |
4135209.cif |
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Users of the data should acknowledge the original authors of the
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