Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7224634
Preview
| Coordinates | 7224634.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C43 H47 Br3 Cl2 N6 O3 |
|---|---|
| Calculated formula | C43 H47 Br3 Cl2 N6 O3 |
| Title of publication | Unexpected narcissistic self-sorting at molecular and supramolecular levels in racemic chiral calixsalens |
| Authors of publication | Petryk, Małgorzata; Biniek, Katarzyna; Janiak, Agnieszka; Kwit, Marcin |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 26 |
| Pages of publication | 4996 |
| a | 31.614 ± 0.002 Å |
| b | 14.2436 ± 0.0004 Å |
| c | 24.503 ± 0.001 Å |
| α | 90° |
| β | 124.645 ± 0.007° |
| γ | 90° |
| Cell volume | 9077.3 ± 1.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0733 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.0911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7224634.cif |
| 185205 | 2016-08-07 | cif/ Updating files of 7224634, 7224635, 7224636 Original log message: Adding full bibliography for 7224634--7224636.cif. |
7224634.cif |
| 178294 | 2016-03-18 | cif/ Adding structures of 7224634, 7224635, 7224636 via cif-deposit CGI script. |
7224634.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.