Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1572085
Preview
| Coordinates | 1572085.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C102 H99 N4 O9.5 |
|---|---|
| Calculated formula | C102 H96 N4 O8 |
| Title of publication | Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks. |
| Authors of publication | Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 33 |
| Pages of publication | 13191 - 13200 |
| a | 10.3276 ± 0.0009 Å |
| b | 32.363 ± 0.002 Å |
| c | 25.149 ± 0.002 Å |
| α | 90° |
| β | 95.279 ± 0.003° |
| γ | 90° |
| Cell volume | 8370 ± 1.1 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 4 |
| 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 | 0.1995 |
| Residual factor for significantly intense reflections | 0.0982 |
| Weighted residual factors for significantly intense reflections | 0.1608 |
| Weighted residual factors for all reflections included in the refinement | 0.2024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294473 (current) | 2024-09-06 | cif/ Updating files of 1572083, 1572084, 1572085, 1572086, 1572087, 1572088, 1572089, 1572090, 1572091, 1572092, 1572093, 1572094, 1572095, 1572096, 1572097, 1572098, 1572099, 1572100 Original log message: Adding full bibliography for 1572083--1572100.cif. |
1572085.cif |
| 293306 | 2024-07-09 | cif/ Adding structures of 1572083, 1572084, 1572085, 1572086, 1572087, 1572088, 1572089, 1572090, 1572091, 1572092, 1572093, 1572094, 1572095, 1572096, 1572097, 1572098, 1572099, 1572100 via cif-deposit CGI script. |
1572085.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.