Interaction

uncurated

Interaction Scheme

Molecule

%286e 9e 16e 19e%29 1 5 15%281 4%29 11%284 1%29 tetrapyridin 1 iuma 3 8 13 18%281 4%29 tetrabenzenacycloicosaphane 6 9 16 19 tetraene 11 51 111 151 tetraium
(6E,9E,16E,19E)-1,5,15(1,4),11(4,1)-tetrapyridi...

c = 836.0 µM

Host

Cb8
CB8

Cofactor

Cb8
CB8

c = 50.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.50⋅105 ± 2.00⋅104 M-1
Kd =
logKa = 5.18 ± 0.06
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -29.55 ± 0.33 -7.06 ± 0.08
ΔH = -49.4 ± 0.8 -11.81 ± 0.19
-TΔS = 19.7 ± 0.8 4.71 ± 0.19
J mol-1 K-1 cal mol-1 K-1
ΔS = -66.1 ± 2.7 -15.8 ± 0.6
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Isothermal Titration Calorimetry
cmolecule = 836.0 𝜇M    cell
cpartner = 836.0 𝜇M    syringe
ccofactor = 50.0 𝜇M    cell
Detailed information about the solvation.
Solvent System Single Solvent
Solvent sodium;chloride
Solubility 1.0 mM
Please find here information about the dataset this interaction is part of.
Citation:

C. L. Stern, H. Wu, Y. Wang, L. Jones, W. Liu, B. Song, Y. Cui, K. Cai, L. Zhang, D. Shen, X. Chen, Y. Jiao, X. Li, G. Schatz, F. Stoddart, SupraBank 2025, Ring-in-Ring(s) Complexes Exhibiting Tunable Multicolor Photoluminescence (dataset). https://doi.org/10.34804/supra.20220629449

Link: https://doi.org/10.34804/supra.20220629449
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

H. Wu, Y. Wang, L. O. Jones, W. Liu, B. Song, Y. Cui, K. Cai, L. Zhang, D. Shen, X.-Y. Chen, et al., J. Am. Chem. Soc. 2020, 142, 16849–16860.

Link: https://doi.org/10.1021/jacs.0c07745
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of (6E,9E,16E,19E)-1,5,15(1,4),11(4,1)-tetrapyridin-1-iuma-3,8,13,18(1,4)-tetrabenzenacycloicosaphane-6,9,16,19-tetraene-11,51,111,151-tetraium (0.00013333333333333334 M) and CB8 (0 — 0.0002666666666666667 M).