Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1553134
Preview
Coordinates | 1553134.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H13 N O7 S2 |
---|---|
Calculated formula | C11 H13 N O7 S2 |
SMILES | S(=O)(=O)(N1[C@H](C(=O)O)CS(=O)(=O)C1)c1ccc(OC)cc1 |
Title of publication | Chiral dirhodium catalysts derived from l-serine, l-threonine and l-cysteine: design, synthesis and application |
Authors of publication | Kang, Jian; Zhu, Baofu; Liu, Jiewei; Wang, Bo; Zhang, Li; Su, Cheng-Yong |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2015 |
Journal volume | 2 |
Journal issue | 8 |
Pages of publication | 890 |
a | 7.82043 ± 0.00019 Å |
b | 10.2265 ± 0.0003 Å |
c | 17.491 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1398.85 ± 0.06 Å3 |
Cell temperature | 299 ± 0.4 K |
Ambient diffraction temperature | 299 ± 0.4 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 | 0.0375 |
Residual factor for significantly intense reflections | 0.0355 |
Weighted residual factors for significantly intense reflections | 0.1101 |
Weighted residual factors for all reflections included in the refinement | 0.1128 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
Diffraction radiation wavelength | 1.54184 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/1553134.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.