Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4515583
Preview
| Coordinates | 4515583.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H87 B N3 O2 Y |
|---|---|
| Calculated formula | C72 H87 B N3 O2 Y |
| Title of publication | Isoprene Regioblock Copolymerization: Switching the Regioselectivity by the in Situ Ancillary Ligand Transmetalation of Active Yttrium Species |
| Authors of publication | Yu, Xiaying; You, Qing; Zhou, Xigeng; Zhang, Lixin |
| Journal of publication | ACS Catalysis |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 5 |
| Pages of publication | 4465 |
| a | 12.047 ± 0.005 Å |
| b | 17.64 ± 0.007 Å |
| c | 32.956 ± 0.013 Å |
| α | 90° |
| β | 96.116 ± 0.007° |
| γ | 90° |
| Cell volume | 6964 ± 5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1117 |
| Residual factor for significantly intense reflections | 0.0676 |
| Weighted residual factors for significantly intense reflections | 0.1704 |
| Weighted residual factors for all reflections included in the refinement | 0.1913 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225734 (current) | 2019-11-10 | cif/ Adding structures of 4515583 via cif-deposit CGI script. |
4515583.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.