Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4107219
Preview
Coordinates | 4107219.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H25 F3 O3 |
---|---|
Calculated formula | C20 H25 F3 O3 |
SMILES | c1(cc(cc(c1C1=C(C(C)(C)C)[C@](C(F)(F)F)(C(=O)OCC)O1)C)C)C |
Title of publication | Catalytic Asymmetric Synthesis of Stable Oxetenes via Lewis Acid-Promoted [2 + 2] Cycloaddition |
Authors of publication | Kohsuke Aikawa; Yūta Hioki; Natsumi Shimizu; Koichi Mikami |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 20092 - 20095 |
a | 8.2308 ± 0.0017 Å |
b | 13.698 ± 0.003 Å |
c | 8.5629 ± 0.0018 Å |
α | 90° |
β | 92.556 ± 0.004° |
γ | 90° |
Cell volume | 964.5 ± 0.4 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0475 |
Residual factor for significantly intense reflections | 0.0401 |
Weighted residual factors for significantly intense reflections | 0.0955 |
Weighted residual factors for all reflections included in the refinement | 0.101 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/4107219.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.