Interaction

curated

Interaction Scheme

Molecule

Nbph
NaBArF

c = 0.0 — 40000.0 µM

Host

O %28h%292 1
o-(H)2-1.1.1

c = 5000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 60.0 ± 20.0 M-1
Kd =
logKa = 1.78 ± 0.01
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -10.15 ± 0.08 -2.43 ± 0.02
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 Acetonitrile-d3
Please find here information about the dataset this interaction is part of.
Citation:

M. von Delius, H. Löw, E. Mena-Osteritz, SupraBank 2024, Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics (dataset). https://doi.org/10.34804/supra.20210928173

Link: https://doi.org/10.34804/supra.20210928173
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

H. Löw, E. Mena-Osteritz, M. von Delius, Chem. Sci. 2018, 9, 4785–4793.

Link: https://doi.org/10.1039/c8sc01750f
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of NaBArF (0.3333333333333333 M) and o-(H)2-1.1.1 (0 — 0.6666666666666666 M).