Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7157161
Preview
| Coordinates | 7157161.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C45 H39 N3 O3 |
|---|---|
| Calculated formula | C45 H39 N3 O3 |
| Title of publication | Synthesis and chiroptical properties of cylindrical macrocycles comprising two calix[3]aramide moieties. |
| Authors of publication | Saito, Yuuki; Satake, Misa; Mori, Ryuichi; Okayasu, Misaki; Masu, Hyuma; Tominaga, Masahide; Katagiri, Kosuke; Yamaguchi, Kentaro; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 2 |
| Pages of publication | 230 - 236 |
| a | 9.47394 ± 0.00008 Å |
| b | 19.77494 ± 0.0001 Å |
| c | 19.02693 ± 0.00013 Å |
| α | 90° |
| β | 101.684 ± 0.0008° |
| γ | 90° |
| Cell volume | 3490.77 ± 0.04 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 4 |
| 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 | 0.0407 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.0935 |
| Weighted residual factors for all reflections included in the refinement | 0.0963 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157161.cif |
| 247821 | 2020-02-04 | cif/ Updating files of 7157160, 7157161 Original log message: Adding full bibliography for 7157160--7157161.cif. |
7157161.cif |
| 219481 | 2019-10-24 | cif/ Adding structures of 7157160, 7157161 via cif-deposit CGI script. |
7157161.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.