Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1555218
Preview
| Coordinates | 1555218.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H23 Cl3 N2 O2 |
|---|---|
| Calculated formula | C33 H23 Cl3 N2 O2 |
| SMILES | O1Cc2c(c3c(cc2)cccc3)c2c(ccc3ccccc23)COc2c(nccc2)c2ncccc12.ClC(Cl)Cl |
| Title of publication | Conformational and Optical Characteristics of Unidirectionally Twisted Binaphthyl-Bipyridyl Cyclic Dyads. |
| Authors of publication | Takaishi, Kazuto; Suzuki, Jun; Yabe, Tatsuya; Asano, Hikaru; Nishikawa, Michihiro; Hashizume, Daisuke; Muranaka, Atsuya; Uchiyama, Masanobu; Yokoyama, Akihiro |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 16 |
| Pages of publication | 4098 - 4101 |
| a | 9.07268 ± 0.00016 Å |
| b | 11.9732 ± 0.0002 Å |
| c | 13.4535 ± 0.0003 Å |
| α | 90° |
| β | 106.945 ± 0.0007° |
| γ | 90° |
| Cell volume | 1397.99 ± 0.05 Å3 |
| Cell temperature | 165 K |
| Ambient diffraction temperature | 165 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0303 |
| Residual factor for significantly intense reflections | 0.0271 |
| Weighted residual factors for significantly intense reflections | 0.0631 |
| Weighted residual factors for all reflections included in the refinement | 0.0669 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1555218.cif |
| 238398 | 2019-11-24 | cif/ Adding structures of 1555218 via cif-deposit CGI script. |
1555218.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.