Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4032081
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4032081.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H24 N2 O5 |
---|---|
Calculated formula | C24 H24 N2 O5 |
SMILES | O=C(c1nccn1C)[C@@H]1[C@H](C1(C(=O)OCC)C(=O)OCC)c1cccc2ccccc12 |
Title of publication | Chiral Rhodium(III) Complex-Catalyzed Cascade Michael-Alkylation Reactions: Enantioselective Synthesis of Cyclopropanes. |
Authors of publication | Sun, Gui-Jun; Gong, Jun; Kang, Qiang |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 1 |
Pages of publication | 796 - 803 |
a | 15.671 ± 0.0007 Å |
b | 9.7549 ± 0.0003 Å |
c | 28.7604 ± 0.0016 Å |
α | 90° |
β | 104.987 ± 0.006° |
γ | 90° |
Cell volume | 4247 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.1219 |
Residual factor for significantly intense reflections | 0.1083 |
Weighted residual factors for significantly intense reflections | 0.296 |
Weighted residual factors for all reflections included in the refinement | 0.3083 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4032081.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.