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Information card for entry 4135248
Preview
| Coordinates | 4135248.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C216 H200 N24 |
|---|---|
| Calculated formula | C216 H200 N24 |
| Title of publication | Truncated Face-Rotating Polyhedra Constructed from Pentagonal Pentaphenylpyrrole through Graph Theory. |
| Authors of publication | Qu, Hang; Huang, Zheyu; Dong, Xue; Wang, Xinchang; Tang, Xiao; Li, Zhihao; Gao, Wenbin; Liu, Haoliang; Huang, Ruishan; Zhao, Zujin; Zhang, Hui; Yang, Liulin; Tian, Zhongqun; Cao, Xiaoyu |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| Journal volume | 142 |
| Journal issue | 38 |
| Pages of publication | 16223 - 16228 |
| a | 32.3336 ± 0.001 Å |
| b | 33.9663 ± 0.0008 Å |
| c | 51.4808 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 56539 ± 3 Å3 |
| Cell temperature | 209 ± 100 K |
| Ambient diffraction temperature | 209 ± 100 K |
| Number of distinct elements | 3 |
| Space group number | 22 |
| Hermann-Mauguin space group symbol | F 2 2 2 |
| Hall space group symbol | F 2 2 |
| Residual factor for all reflections | 0.0973 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.1162 |
| Weighted residual factors for all reflections included in the refinement | 0.1419 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.881 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4135248.cif |
| 257122 | 2020-10-04 | cif/ Updating files of 4135248, 4135249, 4135250 Original log message: Adding full bibliography for 4135248--4135250.cif. |
4135248.cif |
| 256360 | 2020-09-12 | cif/ Adding structures of 4135248 via cif-deposit CGI script. |
4135248.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.