Structure of a lactone, (3 alpha,4 alpha,6 alpha)-4-(tert- butyldimethylsiloxy)-3,4,5,6-tetrahydro-6-methyl-3-(2-oxopropyl)- 2H- pyran-2-one.
C15H28O4Si, Mr = 300.5, monoclinic, P2(1)/a, a = 11.194 (4), b = 10.944 (3), c = 14.815 (5) A, beta = 95.01 (3) degrees, V = 1808 (2) A3, Dx = 1.104 g cm-3, Z = 4, lambda(Mo K alpha) = 0.71069 A, mu = 1.43 cm-1, F(000) = 656, T = 293 K, final R = 0.052, wR = 0.058 for 1630 reflections with I greater than 3 sigma(I). The valerolactone ring is in a boat conformation and the three ring substituents are cis.
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Department of Chemistry and Biochemistry, University of Maryland, College Park 20742.
DeShong
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Simpson
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D008958:Models, Molecular; D015394:Molecular Structure; D017646:Organosilicon Compounds; D011714:Pyrans / Q000737:chemistry*; D012825:Silicon / Q000737:chemistry*; D012984:Software; D014961:X-Ray Diffraction
D017646:Organosilicon Compounds; D011714:Pyrans; C074018:4-(tert-butyldimethylsiloxy)-3,4,5,6-tetrahydro-6-methyl-3-(2-oxopropyl)-2H-pyran-2-one; D012825:Silicon