Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7248941
Preview
Coordinates | 7248941.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C104 H84 N4 O16 S4 |
---|---|
Calculated formula | C104 H84 N4 O16 S4 |
Title of publication | Structural diversity of anthraquinone substituted p-tert-butylthiacalix[4]arene in the partial cone conformation upon external stimuli |
Authors of publication | Losus, Renny Maria; Sitdikov, Ruzal; Stoikov, Ivan; Dobrzańska, Liliana |
Journal of publication | CrystEngComm |
Year of publication | 2024 |
Journal volume | 26 |
Journal issue | 29 |
Pages of publication | 3929 - 3936 |
a | 13.5849 ± 0.0014 Å |
b | 18.286 ± 0.002 Å |
c | 18.8373 ± 0.0016 Å |
α | 76.759 ± 0.009° |
β | 71.398 ± 0.009° |
γ | 83.702 ± 0.009° |
Cell volume | 4313.7 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.3457 |
Residual factor for significantly intense reflections | 0.1022 |
Weighted residual factors for significantly intense reflections | 0.1385 |
Weighted residual factors for all reflections included in the refinement | 0.2012 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
Diffraction radiation wavelength | 1.54184 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/7248941.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.