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. Author manuscript; available in PMC: 2011 Nov 1.
Published in final edited form as: Environ Int. 2009 Apr 5;36(8):843–848. doi: 10.1016/j.envint.2009.02.005

Table 3.

Selected bond length, bond angles and dihedral angles of PCB TCE sulfate monoesters 8e and 8k.

graphic file with name nihms100702f4.jpg
Property 8e 8k
Bond length (Å) C4-O1 1.426(2) 1.405(4)
S1-O1 1.5853(13) 1.600(2)
S1-O2 1.5684(12) 1.564(3)
S1-O4 1.4162(13) 1.415(3)
Bond angles (°) O1-S1-O2 102.82(7) 101.65(13)
O1-S1-O3 110.14(7) 110.29(14)
O1-S1-O4 104.55(7) 104.36(14)
O2-S1-O3 105.25(7) 105.42(15)
O2-S1-O4 110.17(7) 110.25(15)
O3-S1-O4 122.32(8) 122.93(16)
Dihedral angles (°) Ar-Ar′ 52.13(6) 50.03(10)
Deviation of O1 from Ar plane (Å) 0.092(5) 0.128(5)

Note: Ar and Ar′ represent the aromatic rings of the biphenyl moiety.