Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7130171
Preview
Coordinates | 7130171.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C122 H164 N2 O22 |
---|---|
Calculated formula | C122 H160 N2 O20 |
Title of publication | Neutral Isocyanide-Templated Assembly of Pillar[5]arene [2] and [3]Pseudorotaxanes |
Authors of publication | Khamphaijun, Korawit; Namnouad, Phitawat; Docker, Andrew; Ruengsuk, Araya; Tantirungrotechai, Jonggol; Díaz-Torres, Raúl; Harding, David J.; Bunchuay, Thanthapatra |
Journal of publication | Chemical Communications |
Year of publication | 2022 |
a | 13.0231 ± 0.0001 Å |
b | 14.5127 ± 0.0001 Å |
c | 15.2425 ± 0.0001 Å |
α | 89.096 ± 0.001° |
β | 86.187 ± 0.001° |
γ | 83.07 ± 0.001° |
Cell volume | 2853.37 ± 0.04 Å3 |
Cell temperature | 149.9 ± 0.2 K |
Ambient diffraction temperature | 149.9 ± 0.2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0467 |
Residual factor for significantly intense reflections | 0.0413 |
Weighted residual factors for significantly intense reflections | 0.1108 |
Weighted residual factors for all reflections included in the refinement | 0.115 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation probe | x-ray |
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/7130171.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.