Replication data for A modular family of chiral cavitand receptors: tuning the chiroptical response of achiral fullerene guests

1. SPECTROSCOPIC DATA 1.1 NMR (Nuclear Magnetic Resonance) spectroscopy data for compounds reported in the associated manuscript. Includes mono-dimensional (1D) and bi-dimensional (2D) experiments: 1D 1H, 1D 13C, 1D 13C DEPTQ (Distorsionless Enhancement by Polarization Transfer, inc. Quaternary nucl...

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Bibliographic Details
Author: Lledó, Agustí
Format: conjunto de datos
Publication Date:2026
Country:España
Institution:Consorci de Serveis Universitaris de Catalunya (CSUC)
Repository:CORA.Repositori de Dades de Recerca
OAI Identifier:oai:dnet:cora.rdr____::f624975b8c204a425c750a9f2af354ad
Online Access:https://doi.org/10.34810/DATA2722
Access Level:Open access
Keyword:Chemistry
Fullerenes
Fullerenos
Ful·lerens
Cavitands
Calixarenes
Chirality
Quiralidad
Quiralitat
Host-guest systems
Supramolecular chemistry
Química supramolecular
Description
Summary:1. SPECTROSCOPIC DATA 1.1 NMR (Nuclear Magnetic Resonance) spectroscopy data for compounds reported in the associated manuscript. Includes mono-dimensional (1D) and bi-dimensional (2D) experiments: 1D 1H, 1D 13C, 1D 13C DEPTQ (Distorsionless Enhancement by Polarization Transfer, inc. Quaternary nuclei), 2D 1H-13C HSQC (Heteronuclear Single Quantum Correlation), 2D 1H-15N HSQC, 2D 1H-1H COSY (COrrelation SpectroscopY), 2D 1H-1H NOESY (Nuclear Overhasuer effect SpectroscopY), 2D 1H-1H ROESY (Rotating frame Overhause Effect SpectroscopY). a) For new compounds: 1D 1H, 1D 13C, 1D 13C DEPTQ, 2D 1H-13C HSQC, 2D 1H-15N HSQC, 2D 1H-1H COSY, 2D 1H-1H NOESY, 2D 1H-1H ROESY. b) For reported compounds without previously reported or limited spectroscopic data: 1D 1H NMR, 1D 13C NMR, 2D 1H-13C HSQC. For each compound, a *.mnova file containing the processed data is inluded alongside the raw acquisition data. 1.2 ECD (Electronic Circular Dichroism) spectroscopy data for compounds reported in the associated manuscript. 2. TITRATION DATA 2.1 UV-Vis spectroscopy titration data 2.2 NMR titration data The file Compound_chart.pdf includes a detailed relation of available data for each compound, including the compound's structure and labelling according to the reference manuscript.

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