Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1501989
Preview
Coordinates | 1501989.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H30 N2 O5 |
---|---|
Calculated formula | C24 H30.01 N2.01 O5.02 |
SMILES | O[C@@]1([C@@H]([C@H]([C@H](N(=O)=O)[C@@H]1CCCCCC)c1ccc(OC)cc1)C=O)c1ncccc1 |
Title of publication | Dynamic kinetic asymmetric synthesis of five contiguous stereogenic centers by sequential organocatalytic stetter and Michael-aldol reaction: enantioselective synthesis of fully substituted cyclopentanols bearing a quaternary stereocenter. |
Authors of publication | Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou; Lee, Gene-Hsiang |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 6 |
Pages of publication | 1338 - 1341 |
a | 5.6207 ± 0.0004 Å |
b | 21.3127 ± 0.0015 Å |
c | 37.844 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4533.4 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 20 |
Hermann-Mauguin space group symbol | C 2 2 21 |
Hall space group symbol | C 2c 2 |
Residual factor for all reflections | 0.1108 |
Residual factor for significantly intense reflections | 0.0732 |
Weighted residual factors for significantly intense reflections | 0.1914 |
Weighted residual factors for all reflections included in the refinement | 0.2187 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
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/1501989.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.