| FAIR Data table. VCD spectra and geometries calculated for a Single Enantiomer Lemniscular (Figure-of-Eight) Bisazine a | ||
|---|---|---|
| Systemb | Coordinatesc | ΔΔG‡298 |
| (P,S,S,S,S) | Load 10.14469/hpc/3994 | 0.0 |
| (P,S,S,S,S) | Load 10.14469/hpc/3997 | 1.5 |
| (P,S,S,S,S) | Load 10.14469/hpc/3998 | 1.9 |
| (P,S,S,S,S) | Load 10.14469/hpc/3923 | 4.4 |
| (M,S,S,S,S) | Load 10.14469/hpc/4005 | 18.1 |
| (M,S,S,S,S) | Load 10.14469/hpc/4006 | 20.4 |
| (M,S,S,S,S) | Load 10.14469/hpc/4011 | 21.9 |
| (M,S,S,S,S) | Load 10.14469/hpc/4007 | 25.4 |
| (P,S,S,S,S) as di-anion | Load 10.14469/hpc/3910 | - |
| (P,S,S,S,S) as di-cation | Load 10.14469/hpc/3911 | - |
| aThe overall data collection is available at DOI: 10.14469/hpc/3901. This FAIR data table has DOI: 10.14469/hpc/4937. bInvoke hyperlink to access FAIR data collection for isomer cFAIR data DOI for coordinates. Invoke hyperlink to load coordinates from data repository for display into the 3D window. | ||