Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7230491
Preview
Coordinates | 7230491.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | DE2 |
---|---|
Chemical name | N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile |
Formula | C26 H30 N6 |
Calculated formula | C26 H30 N6 |
Title of publication | Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder |
Authors of publication | Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 19 |
Pages of publication | 2644 |
a | 9.1764 ± 0.0004 Å |
b | 11.1823 ± 0.0004 Å |
c | 18.1079 ± 0.0007 Å |
α | 79.869 ± 0.003° |
β | 76.15 ± 0.003° |
γ | 89.88 ± 0.003° |
Cell volume | 1774.4 ± 0.12 Å3 |
Cell temperature | 243 K |
Ambient diffraction temperature | 243 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1548 |
Residual factor for significantly intense reflections | 0.0783 |
Weighted residual factors for significantly intense reflections | 0.1777 |
Weighted residual factors for all reflections included in the refinement | 0.2265 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
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/7230491.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.