Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7232101
Preview
| Coordinates | 7232101.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39 H43 Cl2 N4 O6 |
|---|---|
| Calculated formula | C39 H43 Cl2 N4 O6 |
| Title of publication | Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule |
| Authors of publication | Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 10 |
| Pages of publication | 1548 |
| a | 10.007 ± 0.0005 Å |
| b | 13.2653 ± 0.0007 Å |
| c | 15.0577 ± 0.0008 Å |
| α | 80.234 ± 0.002° |
| β | 71.193 ± 0.002° |
| γ | 70.137 ± 0.002° |
| Cell volume | 1775.5 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0782 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1758 |
| Weighted residual factors for all reflections included in the refinement | 0.1855 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7232101.cif |
| 223481 | 2019-11-07 | cif/ Updating files of 7232101, 7232102, 7232103, 7232104, 7232105, 7232106, 7232107 Original log message: Adding full bibliography for 7232101--7232107.cif. |
7232101.cif |
| 212927 | 2019-01-11 | cif/ Adding structures of 7232101, 7232102, 7232103, 7232104, 7232105, 7232106, 7232107 via cif-deposit CGI script. |
7232101.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.