Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4128305
Preview
Coordinates | 4128305.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H31 Cl4 N Ru |
---|---|
Calculated formula | C30 H31 Cl4 N Ru |
SMILES | [Ru]123456(Cl)([N](=Cc7ccc(Cl)cc17)[C@@H](c1c7ccccc7ccc1)C)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.C(Cl)Cl |
Title of publication | Ruthenium-Catalyzed Enantioselective C-H Functionalization: A Practical Access to Optically Active Indoline Derivatives. |
Authors of publication | Li, Zhong-Yuan; Lakmal, Hetti Handi Chaminda; Qian, Xiaolin; Zhu, Zhenyu; Donnadieu, Bruno; McClain, Sarah J.; Xu, Xue; Cui, Xin |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 40 |
Pages of publication | 15730 - 15736 |
a | 7.8236 ± 0.0002 Å |
b | 14.7618 ± 0.0004 Å |
c | 24.4735 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2826.45 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0374 |
Residual factor for significantly intense reflections | 0.0309 |
Weighted residual factors for significantly intense reflections | 0.0607 |
Weighted residual factors for all reflections included in the refinement | 0.0625 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4128305.html
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.