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Information card for entry 7157362
Preview
| Coordinates | 7157362.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C70 H70 N2 O23 |
|---|---|
| Calculated formula | C70 H70 N2 O23 |
| Title of publication | Mono-functionalized derivatives and revised configurational assignment of amide naphthotubes. |
| Authors of publication | Yao, Huan; Wang, Xiaoping; Xie, Mo; Wang, Yu-Mei; Quan, Mao; Yang, Liu-Pan; Jiang, Wei |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 10 |
| Pages of publication | 1900 - 1909 |
| a | 13.2399 ± 0.0005 Å |
| b | 15.4494 ± 0.0006 Å |
| c | 15.6625 ± 0.0006 Å |
| α | 80.635 ± 0.002° |
| β | 85.048 ± 0.002° |
| γ | 74.885 ± 0.002° |
| Cell volume | 3048.4 ± 0.2 Å3 |
| Cell temperature | 99.98 K |
| Ambient diffraction temperature | 99.98 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 | 0.0656 |
| Residual factor for significantly intense reflections | 0.0582 |
| Weighted residual factors for significantly intense reflections | 0.1663 |
| Weighted residual factors for all reflections included in the refinement | 0.1764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157362.cif |
| 250356 | 2020-04-05 | cif/ Updating files of 7157362, 7157363, 7157364, 7157365 Original log message: Adding full bibliography for 7157362--7157365.cif. |
7157362.cif |
| 248407 | 2020-02-23 | cif/ Adding structures of 7157362, 7157363, 7157364, 7157365 via cif-deposit CGI script. |
7157362.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.