Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7124301
Preview
Coordinates | 7124301.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H17 N O |
---|---|
Calculated formula | C15 H17 N O |
Title of publication | Pd-Catalyzed Asymmetric Allylic Substitution Cascade via An Asymmetric Desymmetrization for the Synthesis of Bicyclic Dihydrofurans |
Authors of publication | Xu, Kai; Liu, Hao; Hou, Yilin; Shen, Jiefeng; Liu, Delong; Zhang, Wanbin |
Journal of publication | Chemical Communications |
Year of publication | 2019 |
a | 5.93 ± 0.0001 Å |
b | 8.7765 ± 0.0002 Å |
c | 24.7421 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1287.69 ± 0.05 Å3 |
Cell temperature | 297 ± 2 K |
Ambient diffraction temperature | 297 ± 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 | 0.0424 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.1033 |
Weighted residual factors for all reflections included in the refinement | 0.1079 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
219301 (current) | 2019-10-12 | cif/ Adding structures of 7124301, 7124302 via cif-deposit CGI script. |
7124301.cif |
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.