Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7229451
Preview
Coordinates | 7229451.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4,4'-di-tert-butyl-2,2'-bipyridyl |
---|---|
Formula | C18 H24 N2 |
Calculated formula | C18 H24 N2 |
Title of publication | Structures and phase transitions in the neat 4,4'-di-tert-butyl-2,2'-bipyridyl and in its molecular complexes with either brom- or iodanilic acid |
Authors of publication | Rok, Magdalena; Szklarz, Przemyslaw; Moskwa, Marcin; Kijewska, Monika; Baran, Jan; Bator, Grazyna; Medycki, Wojciech; Zamponi, Michaela |
Journal of publication | CrystEngComm |
Year of publication | 2017 |
a | 12.3193 ± 0.0007 Å |
b | 6.5863 ± 0.0003 Å |
c | 10.3445 ± 0.0006 Å |
α | 90° |
β | 102.039 ± 0.005° |
γ | 90° |
Cell volume | 820.88 ± 0.08 Å3 |
Cell temperature | 250 ± 2 K |
Ambient diffraction temperature | 250 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1026 |
Residual factor for significantly intense reflections | 0.0612 |
Weighted residual factors for significantly intense reflections | 0.161 |
Weighted residual factors for all reflections included in the refinement | 0.1929 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7229451.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.