Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4108527
Preview
Coordinates | 4108527.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H19 N O2 |
---|---|
Calculated formula | C16 H19 N O2 |
SMILES | [C@H]12N([C@@H]([C@H](C=C1)C[C@@H]2CO)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 | 7.8633 ± 0.0003 Å |
b | 12.3026 ± 0.0004 Å |
c | 13.8229 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1337.21 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0319 |
Residual factor for significantly intense reflections | 0.0306 |
Weighted residual factors for significantly intense reflections | 0.0822 |
Weighted residual factors for all reflections included in the refinement | 0.0832 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.16 |
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/4108527.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.