Interaction Scheme
Molecule
Cesium tetrakis[3,5-bis(trifluoromethyl)phenyl]...
c = 0.0 — 15000.0 µM
Host
o-(H)2-2.2.2
c = 5000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.20⋅104 | ± 2000.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -23.28 | ± 0.42 | -5.56 | ± 0.1 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | Acetonitrile-d3 |
Please find here information about the dataset this interaction is part of.
| Citation: |
M. von Delius, H. Löw, E. Mena‐Osteritz, K. M. Mullen, C. Jäger, SupraBank 2024, Self‐Assembly, Adaptive Response, and in , out‐ Stereoisomerism of Large Orthoformate Cryptands (dataset). https://doi.org/10.34804/supra.20210928216 |
| Link: | https://doi.org/10.34804/supra.20210928216 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
H. Löw, E. Mena‐Osteritz, K. M. Mullen, C. M. Jäger, M. Delius, ChemPlusChem 2020, 85, 1008–1012. |
| Link: | https://doi.org/10.1002/cplu.202000254 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Cesium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate (0.0016666666666666668 M) and o-(H)2-2.2.2 (0 — 0.0033333333333333335 M).
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