TY - JOUR
T1 - X-ray crystallographic studies of tricarbonylchromium complexes of calix[4]arene conformers
T2 - On an unusual conformation which appears in cone conformers
AU - Iki, Hideshi
AU - Kikuchi, Taketoshi
AU - Tsuzuki, Hirohisa
AU - Shinkai, Seiji
PY - 1994/3
Y1 - 1994/3
N2 - The structures of three arene-tricarbonylchromium complexes prepared from cone and 1,3-alternate-25, 26,27,28-tetrapropoxycalix[4]arene(1) and Cr(CO)6 were determined by single crystal X-ray studies. Crystal data for 1,3-alternate-1·Cr(CO)3 are space group P21/a, a=19.496(3)Å, b=11.118(2)Å, c=19.121(2)Å, β=109.95°(1) and V=3895Å3. The structure was refined to Rw=0.068. Crystal data for cone-1·Cr(CO)3 are space group P21/a, a=21.457(4)Å, b=12.184(1)Å, c=14.816(2)Å, β=91.61°(1) and V=3872Å3. The structure was refined to Rw=0.077. Crystal data for cone-1·2Cr(CO)3 are space group P21/a, a=18.019(3)Å, b=41.347(4)Å, c=11.743(2)Å, β=97.39°(1) and V=8676Å3. The single crystal included two similar but slightly different structures but the data were successfully refined to Rw=0.092. The structure of 1,3-alternate-1·Cr(CO)3 differs only slightly from that of the regular 1,3-alternate calix[4]arene. In contrast, cone-1·Cr(CO)3 and cone-1·2Cr(CO)3 show an unusual conformation with a pair of faced gablelike roofs, which is considerbly distorted from the regular cone calix[4]arene. The origin of this distortion is discussed in combination with the spectral studies.
AB - The structures of three arene-tricarbonylchromium complexes prepared from cone and 1,3-alternate-25, 26,27,28-tetrapropoxycalix[4]arene(1) and Cr(CO)6 were determined by single crystal X-ray studies. Crystal data for 1,3-alternate-1·Cr(CO)3 are space group P21/a, a=19.496(3)Å, b=11.118(2)Å, c=19.121(2)Å, β=109.95°(1) and V=3895Å3. The structure was refined to Rw=0.068. Crystal data for cone-1·Cr(CO)3 are space group P21/a, a=21.457(4)Å, b=12.184(1)Å, c=14.816(2)Å, β=91.61°(1) and V=3872Å3. The structure was refined to Rw=0.077. Crystal data for cone-1·2Cr(CO)3 are space group P21/a, a=18.019(3)Å, b=41.347(4)Å, c=11.743(2)Å, β=97.39°(1) and V=8676Å3. The single crystal included two similar but slightly different structures but the data were successfully refined to Rw=0.092. The structure of 1,3-alternate-1·Cr(CO)3 differs only slightly from that of the regular 1,3-alternate calix[4]arene. In contrast, cone-1·Cr(CO)3 and cone-1·2Cr(CO)3 show an unusual conformation with a pair of faced gablelike roofs, which is considerbly distorted from the regular cone calix[4]arene. The origin of this distortion is discussed in combination with the spectral studies.
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U2 - 10.1007/BF00708984
DO - 10.1007/BF00708984
M3 - Article
AN - SCOPUS:21844518162
SN - 1388-3127
VL - 19
SP - 227
EP - 236
JO - Journal of Inclusion Phenomena and Macrocyclic Chemistry
JF - Journal of Inclusion Phenomena and Macrocyclic Chemistry
IS - 1-4
ER -