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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 15, Number 12
BKCSDE 15(12)
December 20, 1994 

Synthesis and X-Ray Structure of 25-Acetoxy-26,27,28-trimethoxycalix[4]arene
Young Ja Park*, Kwanghyun No, Boo-Hee Song, Soo Kyung Rhim
25-Acetoxy-26,27,28-trimethoxycalix[4]arene was synthesized by the treatment of calix[4]arene trimethyl ether with acetyl chloride in the presence of NaH. The solution conformation was inferred as a partial cone conformation based on the 1H-and 13C NMR spectra. The crystal structure has been determined by X-ray diffraction method. The crystals are monoclinic, space group P21/n, a=8.186 (1), b=17.137 (2), c=19.878 (3) Å, β =95.67 (1)°, Z=4, V=2774.90 Å3, Dc= 1.22 g cm-3, Dm=1.23 g cm-3. The intensity data were collected on an Enraf-Noninus CAD-4 Diffractometer with a graphite monochromated Cu-Kα radiation. The structure was solved by direct method and refined by full-matrix least-squares methods to a final R value of 0.054 for 3675 observed reflections. The molecule possesses a partial cone conformation with one flattened phenyl unit, in which one anisol ring, distal to the ester ring, is inverted. The acetoxyphenyl ring is flattened.
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