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. Author manuscript; available in PMC: 2010 Sep 17.
Published in final edited form as: J Phys Chem B. 2009 Sep 17;113(37):12466–12476. doi: 10.1021/jp905496e

Table 2.

Crystal lattice parameter and volumes calculated from crystal simulations.39

Compound CSD ID R
factor
A %
error
B %
error
C %
error
Volume %
error
Me-α-
Arabinofuranoside
JUQSET 0.06 12.26 6.83 4.60 378.17
12.92 5.41 6.79 −0.62 4.60
0.08
390.62 3.29
Me-β-
Arabinofuranoside
QIBTIE 0.10 5.90 10.79 12.15 773.748
6.71 13.68 9.41
12.78
12.42 2.23 783.66 1.28
Me-α-
Lyxofuranoside
JUQSOD 0.03 10.34 15.50 4.63 741.18
10.49 1.45 15.83 2.10 4.59
0.78
762.54 2.88
Me-β-
Ribofuranoside
ZOWJAW 0.03 4.86 24.16 12.88 1511.84
4.78 −1.59 25.82 6.88 12.99 0.88 1603.90 6.09
Me-α-
Xylofuranoside
DMANTL07 0.04 6.22 8.14 7.42 369.11
6.50 4.53 8.20 0.72 7.49 1.00 389.82 5.61

Average 4.70 −0.74 0.65 3.83