Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7154255
Preview
Coordinates | 7154255.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H20 N2 O |
---|---|
Calculated formula | C18 H20 N2 O |
SMILES | c1ccccc1CCC1NCCN(C1=O)c1ccccc1 |
Title of publication | Synthesis of 1- and 4-substituted piperazin-2-ones via Jocic-type reactions with N-substituted diamines. |
Authors of publication | Perryman, Michael S.; Earl, Matthew W. M.; Greatorex, Sam; Clarkson, Guy J.; Fox, David J. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2015 |
Journal volume | 13 |
Journal issue | 8 |
Pages of publication | 2360 - 2365 |
a | 27.3686 ± 0.0006 Å |
b | 6.32664 ± 0.00013 Å |
c | 8.74746 ± 0.00017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1514.63 ± 0.05 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0346 |
Residual factor for significantly intense reflections | 0.0343 |
Weighted residual factors for significantly intense reflections | 0.0913 |
Weighted residual factors for all reflections included in the refinement | 0.0915 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 1.5418 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/7154255.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.