Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1561104
Preview
| Coordinates | 1561104.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Guest_MNB_235_071020 |
|---|---|
| Formula | C40 H26 |
| Calculated formula | C40 H26 |
| SMILES | c1ccc2c(c1)ccc(c1ccc(c3c1C1c4ccccc4C3c3ccccc13)c1cc3ccccc3cc1)c2 |
| Title of publication | Conjugated microporous polymers using a copper-catalyzed [4 + 2] cyclobenzannulation reaction: promising materials for iodine and dye adsorption |
| Authors of publication | Baig, Noorullah; Shetty, Suchetha; Al-Mousawi, Saleh; Alameddine, Bassam |
| Journal of publication | Polymer Chemistry |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 15 |
| Pages of publication | 2282 - 2292 |
| a | 8.1285 ± 0.0002 Å |
| b | 22.6403 ± 0.0006 Å |
| c | 14.3177 ± 0.0003 Å |
| α | 90° |
| β | 90.586 ± 0.001° |
| γ | 90° |
| Cell volume | 2634.77 ± 0.11 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 2 |
| 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 | 0.0763 |
| Residual factor for significantly intense reflections | 0.0694 |
| Weighted residual factors for significantly intense reflections | 0.1456 |
| Weighted residual factors for all reflections included in the refinement | 0.1479 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.981 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1561104.cif |
| 264967 | 2021-05-05 | cif/ Updating files of 1561104, 1561105 Original log message: Adding full bibliography for 1561104--1561105.cif. |
1561104.cif |
| 263107 | 2021-03-18 | cif/ Adding structures of 1561104, 1561105 via cif-deposit CGI script. |
1561104.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.