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Determination of the crystal structure of 1, 5-diphenyltricyclo [2.1.O.O.²˒⁵] pent-3-yl p-bromobenzoate by x-ray diffraction Gibbons, Cyril Stephen

Abstract

The crystal structure of 1,5-diphenyltricyclo [2.1.0.0²˒⁵] pent-3-yl p-bromobenzoate has been determined by X-ray diffraction. The crystals are triclinic, a = 5.92, b = 8.98, c = 17.85 Å, ⍺ = 89°17', β = 82°46', Ɣ = 89°50', Z = 2, space group Pī. The structure was determined with visual Cu-K[formula omitted] data by heavy atom Patterson and Fourier methods, and the positional and thermal parameters were refined by least-squares, the final discrepancy index R, being 0.16 for 1228 observed reflections. The tricyclopentane system is highly strained, with six C-C-C angles of 60°, three of 80°, and four of 90°, and an intramolecular non-bonded C...C distance of 1.99 Å. The C-C bond lengths are similar to those of normal single bonds, except for the bond common to the two three-membered rings, which may possibly be slightly shorter than the others.

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