Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7132705
Preview
Coordinates | 7132705.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H30 Cl2 N2 O6 |
---|---|
Calculated formula | C29 H30 Cl2 N2 O6 |
Title of publication | Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies. |
Authors of publication | Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2024 |
Journal volume | 60 |
Journal issue | 20 |
Pages of publication | 2800 - 2803 |
a | 10.7438 ± 0.0004 Å |
b | 9.7103 ± 0.0003 Å |
c | 14.4644 ± 0.0005 Å |
α | 90° |
β | 110.923 ± 0.002° |
γ | 90° |
Cell volume | 1409.5 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0315 |
Residual factor for significantly intense reflections | 0.0278 |
Weighted residual factors for significantly intense reflections | 0.0638 |
Weighted residual factors for all reflections included in the refinement | 0.0658 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Diffraction radiation X-ray symbol | K-L~3~ |
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/7132705.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.