The structure of 2R-(3′S-benzyloxy-5′S-hydroxy-2′R-hydroxymethyl-1′-oxacyclohexan-6′S-yl)-propionic acid-1,5′-lactone,C16H20O5 |
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Authors: | Debra J Carroll Gretchen S Mandel Neil S Mandel PhD |
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Institution: | 1. Molecular Structure Laboratory, The Medical College of Wisconsin Research Service, Wood Veterans Administration Medical Center, 53193, Milwaukee, Wisconsin
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Abstract: | The title compound is C16H20O5, MW=292.3, orthorhombic,P212121,a=9.741(2),b=29.391(7),c=5.354(1) Å from diffractometer measurements,V=1532.8 Å3,Z=4,D c =1.267 g cm?3,D o =1.271 g cm?3 (ether/1,1,2,2-tetrabromoethane), λ(Mo Kα)=0.71069 Å,F(000)=624,μ=1.02 cm?1, crystal dimensions 0.23×0.23×0.40 mm,R=0.049 for 1164 observed reflections. The molecule contains a possibly significant asymmetric ether linkage between the oxacyclohexane ring and the highly anisotropic benzyl ring. The packing consists of zigzagged chains parallel to thea-axis formed by hydrogen bonds. The chains are separated by van der Waals contacts. |
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