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- W2024542181 abstract "The crystal structures of [4.4.4]propellane (monoclinic, a=12.053, b=7.832, c=13.001 Å, β=104.89°, space group C2/c, Z=4) and [4.4.4]propellatriene (monoclinic, a=7.876, b=12.651, c=13.164 Å, β=122.81°, space group P21/c,Z=4) have been determined by X-ray analysis. In propellane the six-membered rings are in the chair conformation, in propellatriene they adopt the ‘half-chair’ conformation with a twofold axis passing through the centre of each double bond. In both cases the observed parameters correspond to virtual D3(32) molecular symmetry. Corrections have been applied for the effect of molecular libration. Strain-minimization calculations based on semi-empirical potential functions have been carried out and the molecular parameters so derived are compared with the experimental values." @default.
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- W2024542181 date "1971-12-10" @default.
- W2024542181 modified "2023-10-17" @default.
- W2024542181 title "Structure of [4.4.4]propellane and [4.4.4]propellatriene byX-ray Analysis" @default.
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- W2024542181 doi "https://doi.org/10.1002/hlca.19710540811" @default.
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