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. Author manuscript; available in PMC: 2014 Feb 1.
Published in final edited form as: J Org Chem. 2013 Jan 10;78(3):1014–1025. doi: 10.1021/jo302423p

Table 2.

Summary of the crystal data and structure refinement parameters for 1, 2, and 6.

Compound 1 2 6
Formula C33H27N3 C34H29N3 C36H31NOS
Formula weight 465.58 479.60 525.69
Crystal system Triclinic Triclinic Triclinic
Space group P-1 P-1 P-1
a 8.3392(13) 8.7255(12) 9.3797(6)
b 10.0974(16) 10.8750(15) 10.4703(6)
c 15.684(3) 15.855(2) 15.9304(10)
α /° 98.756(2) 98.469(2) 79.5150(10)
β /° 101.508(2) 101.687(2) 78.4040(10)
γ /° 97.415(2) 110.096(2) 67.3940(10)
V3 1261.5(4) 1344.6(3) 1405.30(15)
Z 2 2 2
Dc /Mg m−3 1.226 1.185 1.242
μ (MoKα)/mm−1 0.072 0.070 0.145
F(000) 492 508 556
Reflections collected/
unique
16761/6046
[R(int)=0.0645]
14513/4732
[R(int)=0.0434]
15012/4944
[R(int)=0.0310]
Reflections with I>2σ(I) 3370 4732 4944
Goodness-of-fit on F2 1.001 1.012 1.043
R, wR (I>2σ(I)) 0.0585, 0.1293 0.0399, 0.0876 0.0407, 0.0988