Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4108529
Preview
Coordinates | 4108529.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H29 N O2 |
---|---|
Calculated formula | C26 H29 N O2 |
SMILES | N1([C@@H]([C@@H](C[C@@H]2[C@H](CC=C[C@H]12)OCc1ccccc1)C=C)C)C(=O)c1ccccc1.N1([C@H]([C@H](C[C@H]2[C@@H](CC=C[C@@H]12)OCc1ccccc1)C=C)C)C(=O)c1ccccc1 |
Title of publication | Total Synthesis of (+)-Lepadin B: Stereoselective Synthesis of Nonracemic Polysubstituted Hydroquinolines Using an RC-ROM Process |
Authors of publication | Guillaume Barbe; André B. Charette |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 13873 - 13875 |
a | 9.7667 ± 0.0003 Å |
b | 10.593 ± 0.0003 Å |
c | 10.9641 ± 0.0003 Å |
α | 80.7093 ± 0.0015° |
β | 71.5065 ± 0.0013° |
γ | 73.983 ± 0.0018° |
Cell volume | 1030.59 ± 0.05 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0627 |
Residual factor for significantly intense reflections | 0.0518 |
Weighted residual factors for significantly intense reflections | 0.1965 |
Weighted residual factors for all reflections included in the refinement | 0.2051 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 1.54178 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/4108529.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.