Interaction Scheme

Molecule

Cs
Cs+

Host

O %28me%292 1.1.1
o-(Me)2-1.1.1

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 5.0 M-1
Kd =
logKa = 0.7
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -3.99 -0.95
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
Please find here information about the dataset this interaction is part of.
Citation:

O. Shyshov, R. Brachvogel, T. Bachmann, R. Srikantharajah, D. Segets, F. Hampel, R. Puchta, M. von Delius, SupraBank 2024, Adaptive Behavior of Dynamic Orthoester Cryptands (dataset). https://doi.org/10.34804/supra.2021092875

Link: https://doi.org/10.34804/supra.2021092875
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

O. Shyshov, R. C. Brachvogel, T. Bachmann, R. Srikantharajah, D. Segets, F. Hampel, R. Puchta, M. von Delius, Angew. Chem. Int. Ed. 2016, 56, 776–781.

Link: https://doi.org/10.1002/anie.201609855
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Cs+ (4.0 M) and o-(Me)2-1.1.1 (0 — 8.0 M).