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. 2022 May 3;7(19):16380–16390. doi: 10.1021/acsomega.2c00225

Table 4. Selected Crystallographic Data for BBT.

formula C210H227Br8N9O24
MW (g mol–1) 3900.27
space group P212121
T (K) 100.0(3)
a (Å) 24.27507(18)
b (Å) 28.6715(2)
c (Å) 33.1633(3)
V3) 23081.8(3)
Z 4
μ (mm–1) 2.119
Ra 0.0681
Rwb 0.1868
GOF 1.033
Flack parameter 0.007(5)
a

I > 2σ(I); R = ∑||F0| – |Fc||/∑|F0|.

b

All data; Rw = [∑w(Fo2Fc2)2/∑w(Fo2)2]1/2.