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Information card for entry 7125654
Preview
| Coordinates | 7125654.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C92 H128 F6 N O12 P |
|---|---|
| Calculated formula | C92 H128 F6 N O12 P |
| Title of publication | A 2,3-dialkoxynaphthalene-based naphthocage. |
| Authors of publication | Lu, Song-Bo; Chai, Hongxin; Ward, Jas S.; Quan, Mao; Zhang, Jin; Rissanen, Kari; Luo, Ray; Yang, Liu-Pan; Jiang, Wei |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 6 |
| Pages of publication | 888 - 891 |
| a | 15.7124 ± 0.0006 Å |
| b | 35.8329 ± 0.0017 Å |
| c | 16.5563 ± 0.0007 Å |
| α | 90° |
| β | 90.796 ± 0.004° |
| γ | 90° |
| Cell volume | 9320.6 ± 0.7 Å3 |
| Cell temperature | 120.01 ± 0.1 K |
| Ambient diffraction temperature | 120.01 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2178 |
| Residual factor for significantly intense reflections | 0.176 |
| Weighted residual factors for significantly intense reflections | 0.4702 |
| Weighted residual factors for all reflections included in the refinement | 0.4931 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.673 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7125654.cif |
| 247600 | 2020-02-04 | cif/ Updating files of 7125654 Original log message: Adding full bibliography for 7125654.cif. |
7125654.cif |
| 245180 | 2019-12-14 | cif/ Adding structures of 7125654 via cif-deposit CGI script. |
7125654.cif |
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Users of the data should acknowledge the original authors of the
structural data.