Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4037351
Preview
Coordinates | 4037351.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H23 Br2 Cl2 N O7 S |
---|---|
Calculated formula | C29 H23 Br2 Cl2 N O7 S |
SMILES | c1(ccc(c(c1)[C@@H]1[C@H]2C(=S)Oc3ccc(cc3[C@H]2C(C(=O)OC)(C(=O)OC)N1)Br)OC(=O)c1ccccc1)Br.C(Cl)Cl.c1(ccc(c(c1)[C@H]1[C@@H]2C(=S)Oc3ccc(cc3[C@@H]2C(C(=O)OC)(C(=O)OC)N1)Br)OC(=O)c1ccccc1)Br.C(Cl)Cl |
Title of publication | Enantioselective Synthesis of Polysubstituted Benzopyrano[3,4-c]pyrrolidine Frameworks via [3 + 2] Cycloaddition of Azomethine Ylides and Coumarin Derivatives. |
Authors of publication | Chang, Geng-Hua; Wang, Chein-Yi; Madhusudhan Reddy, G.; Tsai, Yi-Ling; Lin, Wenwei |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 20 |
Pages of publication | 10071 - 10080 |
a | 9.561 ± 0.007 Å |
b | 11.973 ± 0.008 Å |
c | 14.769 ± 0.009 Å |
α | 94.018 ± 0.014° |
β | 106.912 ± 0.014° |
γ | 109.068 ± 0.014° |
Cell volume | 1503.1 ± 1.8 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0686 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for significantly intense reflections | 0.0877 |
Weighted residual factors for all reflections included in the refinement | 0.1063 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
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/4037351.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.