Skip to main content
. 2015 Jan 21;6(4):2187–false. doi: 10.1039/c4sc03960b

Table 1. Summary of the crystal structure analyses of 2B, 2G, and 2Y.

2B 2G 2Y
CCDC number 1035806 1035808 1035810
Specimen Single crystal Single crystal Powder
Crystal system Triclinic Triclinic Monoclinic
Space group P1 (#2) P1 (#2) P21/c (#14)
a 3.5452(4) 3.5707(3) 7.79058(18)
b 14.0087(15) 10.3087(10) 18.7202(5)
c 14.2490(15) 14.2742(11) 6.74157(17)
α 109.292(3) 107.689(4) 90
β 91.673(3) 92.505(5) 103.167(3)
γ 91.322(2) 100.205(5) 90
V3 667.23(13) 489.99(8) 957.35(5)
Z value 1 1 2
D calc/g cm–3 2.335 2.786
R 1 a /% 4.73 10.08
wR2 b /% 10.55 25.46
GOF c 1.152 1.114
R wp/% 4.62
R p/% 3.60
R F2/% 2.74

aFor data with I > 2.00σ(I).

bFor all reflection data.

cGoodness of fit.