Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7244901
Preview
| Coordinates | 7244901.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H28 I4 O4 |
|---|---|
| Calculated formula | C40 H28 I4 O4 |
| Title of publication | Halogen-bonded architectures of multivalent calix[4]arenes |
| Authors of publication | Gullo, Maria Chiara; Marchiò, Luciano; Casnati, Alessandro; Baldini, Laura |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 12.8824 ± 0.0008 Å |
| b | 19.0447 ± 0.0011 Å |
| c | 15.1918 ± 0.0011 Å |
| α | 90° |
| β | 98.548 ± 0.005° |
| γ | 90° |
| Cell volume | 3685.8 ± 0.4 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1554 |
| Residual factor for significantly intense reflections | 0.099 |
| Weighted residual factors for significantly intense reflections | 0.2093 |
| Weighted residual factors for all reflections included in the refinement | 0.2351 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275153 (current) | 2022-05-07 | cif/ Adding structures of 7244901, 7244902, 7244903, 7244904 via cif-deposit CGI script. |
7244901.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.