Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4029165
Preview
Coordinates | 4029165.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C102 H118 N24 O34 S |
---|---|
Calculated formula | C102 H118 N24 O34 S |
Title of publication | A C3v-Symmetric Tripodal Urea Receptor for Anions and Ion Pairs: Formation of Dimeric Capsular Assemblies of the Receptor during Anion and Ion Pair Coordination. |
Authors of publication | Basu, Arghya; Das, Gopal |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 6 |
Pages of publication | 2647 - 2656 |
a | 11.4144 ± 0.0006 Å |
b | 16.9099 ± 0.0011 Å |
c | 17.2091 ± 0.0011 Å |
α | 115.692 ± 0.007° |
β | 100.539 ± 0.005° |
γ | 98.828 ± 0.005° |
Cell volume | 2839.4 ± 0.4 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.1395 |
Residual factor for significantly intense reflections | 0.0838 |
Weighted residual factors for significantly intense reflections | 0.2758 |
Weighted residual factors for all reflections included in the refinement | 0.3383 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 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/4029165.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.