Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4032217
Preview
Coordinates | 4032217.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H15 Br O5 |
---|---|
Calculated formula | C21 H15 Br O5 |
Title of publication | Diastereoselective Synthesis of Rauhut-Currier-Type Adducts via an Unexpected α-Addition of α,β-Unsaturated γ-Butyrolactams to Coumarin Derivatives. |
Authors of publication | Yang, Shu-Mei; Madhusudhan Reddy, Ganapuram; Liu, Meng-Hsien; Wang, Tzu-Ping; Yu, Jhen-Kuei; Lin, Wenwei |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 1 |
Pages of publication | 781 - 789 |
a | 8.0753 ± 0.0009 Å |
b | 24.06 ± 0.003 Å |
c | 9.5701 ± 0.001 Å |
α | 90° |
β | 96.738 ± 0.005° |
γ | 90° |
Cell volume | 1846.5 ± 0.4 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1365 |
Residual factor for significantly intense reflections | 0.0623 |
Weighted residual factors for significantly intense reflections | 0.1501 |
Weighted residual factors for all reflections included in the refinement | 0.2097 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4032217.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.