Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7227270
Preview
| Coordinates | 7227270.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H24 F8 I4 N6 O3 S |
|---|---|
| Calculated formula | C30 H24 F8 I4 N6 O3 S |
| Title of publication | Pillars of assembled pyridyl bis-urea macrocycles: a robust synthon to organize diiodotetrafluorobenzenes |
| Authors of publication | Som, Bozumeh; Salpage, Sahan R.; Son, Juno; Gu, Bing; Karakalos, Stavros G.; Smith, Mark D.; Shimizu, Linda S. |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 3 |
| Pages of publication | 484 |
| a | 4.5773 ± 0.0003 Å |
| b | 36.882 ± 0.003 Å |
| c | 21.7673 ± 0.0014 Å |
| α | 90° |
| β | 91.029 ± 0.002° |
| γ | 90° |
| Cell volume | 3674.2 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0755 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.0643 |
| Weighted residual factors for all reflections included in the refinement | 0.0698 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191565 (current) | 2017-02-04 | cif/ Updating files of 7227268, 7227269, 7227270 Original log message: Adding full bibliography for 7227268--7227270.cif. |
7227270.cif |
| 189134 | 2016-12-15 | cif/ Adding structures of 7227268, 7227269, 7227270 via cif-deposit CGI script. |
7227270.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.