Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7159524
Preview
Coordinates | 7159524.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | IISRX02RT |
---|---|
Formula | C19 H16 F3 N O3 S |
Calculated formula | C19 H16 F3 N O3 S |
Title of publication | Base-catalyzed diastereodivergent thia-Michael addition to chiral β-trifluoromethyl-α,β-unsaturated <i>N</i>-acylated oxazolidin-2-ones. |
Authors of publication | Racochote, Sasirome; Naweephattana, Phiphob; Surawatanawong, Panida; Kuhakarn, Chutima; Leowanawat, Pawaret; Reutrakul, Vichai; Soorukram, Darunee |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2023 |
Journal volume | 21 |
Journal issue | 35 |
Pages of publication | 7180 - 7187 |
a | 21.044 ± 0.0012 Å |
b | 5.1578 ± 0.0003 Å |
c | 19.5025 ± 0.0011 Å |
α | 90° |
β | 119.164 ± 0.002° |
γ | 90° |
Cell volume | 1848.46 ± 0.19 Å3 |
Cell temperature | 273.15 K |
Ambient diffraction temperature | 273.15 K |
Number of distinct elements | 6 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0452 |
Residual factor for significantly intense reflections | 0.0417 |
Weighted residual factors for significantly intense reflections | 0.116 |
Weighted residual factors for all reflections included in the refinement | 0.1197 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Diffraction radiation X-ray symbol | K-L~3~ |
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/7159524.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.