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Information card for entry 7125635
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| Coordinates | 7125635.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | H6-1 |
|---|---|
| Formula | C101 H158 N2 O10 |
| Calculated formula | C101 H158 N2 O10 |
| Title of publication | Supramolecular enantiomeric and structural differentiation of amino acid derivatives with achiral pillar[5]arene homologs. |
| Authors of publication | Ji, Jiecheng; Li, Yizhou; Xiao, Chao; Cheng, Guo; Luo, Kui; Gong, Qiyong; Zhou, Dayang; Chruma, Jason J.; Wu, Wanhua; Yang, Cheng |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 1 |
| Pages of publication | 161 - 164 |
| a | 12.4095 ± 0.0004 Å |
| b | 20.4957 ± 0.0006 Å |
| c | 21.0073 ± 0.0015 Å |
| α | 112.176 ± 0.008° |
| β | 96.805 ± 0.007° |
| γ | 98.937 ± 0.007° |
| Cell volume | 4795.2 ± 0.5 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 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 | 0.1549 |
| Residual factor for significantly intense reflections | 0.0895 |
| Weighted residual factors for significantly intense reflections | 0.2141 |
| Weighted residual factors for all reflections included in the refinement | 0.2434 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.843 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7125635.cif |
| 247567 | 2020-02-04 | cif/ Updating files of 7125634, 7125635, 7125636, 7125637 Original log message: Adding full bibliography for 7125634--7125637.cif. |
7125635.cif |
| 244817 | 2019-11-30 | cif/ Adding structures of 7125634, 7125635, 7125636, 7125637 via cif-deposit CGI script. |
7125635.cif |
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Users of the data should acknowledge the original authors of the
structural data.