Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8106758
Preview
Coordinates | 8106758.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H21 N3 |
---|---|
Calculated formula | C20 H21 N3 |
Title of publication | The crystal structure of N,N-dimethyl-2,6-di-p-tolylpyrimidin-4-amine, C20H21N3 |
Authors of publication | Zhang, Zhi-Mao; Chen, Lian-Hui |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2017 |
Journal volume | 232 |
Journal issue | 6 |
Pages of publication | 1029 - 1030 |
a | 12.2422 ± 0.0016 Å |
b | 7.1996 ± 0.001 Å |
c | 39.037 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3440.7 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0786 |
Residual factor for significantly intense reflections | 0.0686 |
Weighted residual factors for significantly intense reflections | 0.1663 |
Weighted residual factors for all reflections included in the refinement | 0.1723 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
280862 (current) | 2023-02-13 | cif/ Adding structures of 8106758 via cif-deposit CGI script. |
8106758.cif |
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.