Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1513871
Preview
Coordinates | 1513871.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H18 O2 S |
---|---|
Calculated formula | C17 H18 O2 S |
SMILES | S(Cc1ccccc1)[C@@H](c1ccc(cc1)C)C(=O)OC |
Title of publication | Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids |
Authors of publication | Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin |
Journal of publication | Chemical Science |
Year of publication | 2014 |
Journal volume | 5 |
Journal issue | 4 |
Pages of publication | 1442 |
a | 5.673 ± 0.0011 Å |
b | 8.3677 ± 0.0017 Å |
c | 31.795 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1509.3 ± 0.5 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0925 |
Residual factor for significantly intense reflections | 0.0834 |
Weighted residual factors for significantly intense reflections | 0.1875 |
Weighted residual factors for all reflections included in the refinement | 0.1904 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1513871.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.