TY - JOUR
T1 - Crystal structure of 2, 8, 14, 20-tert-butylpyrogallol[4]arene
AU - Dueno, Eric E.
AU - Hunter, Allen D.
AU - Zeller, Matthias
AU - Ray, Thomas A.
AU - Salvatore, Ralph N.
AU - Zambrano, Cesar H.
N1 - Funding Information:
Acknowledgements EED acknowledges the National Science Foundation for primary support of this research (EPSCOR Grant No. 450901). MZ acknowledges NSF grant 0087210, the Ohio Board of Regents grant CAP-491, and YSU for funding the diffractometer. CZ is thankful to Andrea Alejandra Saltos R. (USFQ), who helped with the computational work.
PY - 2008/3
Y1 - 2008/3
N2 - The aromatic derivative 2, 8, 14, 20-tert-butylpyrogallol[4]arene was synthesized by the acid catalyzed condensation of pivalaldehyde and pyrogallol in refluxing aqueous ethanol. Single crystal X-ray analysis revealed that the molecule crystallizes in the monoclinic crystal system; space group: P2 1/c. Unit cell dimensions: a = 11.1175(7) Å, α = 90°, b = 23.4525(15) Å, β = 101.6720(10)°, c = 21.9595(14) Å, γ = 90°, Dcalc = 1.205 Mg/m3g/m3 for Z = 4. In the solid state, the macrocycle is found to adopt a crown structure that is unique for the rcct conformation.
AB - The aromatic derivative 2, 8, 14, 20-tert-butylpyrogallol[4]arene was synthesized by the acid catalyzed condensation of pivalaldehyde and pyrogallol in refluxing aqueous ethanol. Single crystal X-ray analysis revealed that the molecule crystallizes in the monoclinic crystal system; space group: P2 1/c. Unit cell dimensions: a = 11.1175(7) Å, α = 90°, b = 23.4525(15) Å, β = 101.6720(10)°, c = 21.9595(14) Å, γ = 90°, Dcalc = 1.205 Mg/m3g/m3 for Z = 4. In the solid state, the macrocycle is found to adopt a crown structure that is unique for the rcct conformation.
KW - Crown conformation
KW - Crystal structure, tert-butyl
KW - Pyrogallol[4]arene
UR - https://www.scopus.com/pages/publications/39149123186
U2 - 10.1007/s10870-007-9285-7
DO - 10.1007/s10870-007-9285-7
M3 - Artículo
AN - SCOPUS:39149123186
SN - 1074-1542
VL - 38
SP - 181
EP - 187
JO - Journal of Chemical Crystallography
JF - Journal of Chemical Crystallography
IS - 3
ER -