Interaction Scheme
Molecule
1,1'-bis(3,5-diethoxybenzyl)-[4,4'-bipyridine]-...
Host
CB7
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka > | 8.00⋅105 | M-1 | |
| Kd > | |||
| logKa > | |||
| T | 25.0 °C | ||
| kin= | 0.9 | ± | M-1s-1 |
| kout= | 1.125e-06 | ± | s-1 |
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | < | -33.7 | -8.05 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| Nucleus | 1H | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | Deuterium Oxide |
Please find here information about the dataset this interaction is part of.
| Citation: |
A. E. Kaifer, S. Senler, B. Cheng, SupraBank 2024, Rotaxane Formation by Cucurbit[7]uril in Water and DMSO Solutions (dataset). https://doi.org/10.34804/supra.2021092851 |
| Link: | https://doi.org/10.34804/supra.2021092851 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
S. Senler, B. Cheng, A. E. Kaifer, Org. Lett. 2014, 16, 5834–5837. |
| Link: | https://doi.org/10.1021/ol502479k |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 1,1'-bis(3,5-diethoxybenzyl)-[4,4'-bipyridine]-1,1'-diium (2.5e-05 M) and CB7 (0 — 5.0e-05 M).
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