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. 2012 Jun 30;68(Pt 7):o2252. doi: 10.1107/S1600536812028450
x y z Uiso*/Ueq
O1 0.3536 (4) 1.0472 (3) 0.73306 (10) 0.0732 (8)
C9 0.4310 (5) 0.9265 (4) 0.74986 (14) 0.0574 (9)
N1 0.5307 (5) 0.8365 (4) 0.71908 (12) 0.0630 (8)
C2 0.4248 (5) 0.7787 (4) 0.62951 (15) 0.0702 (11)
N2 −0.0448 (5) 0.6926 (4) 0.81406 (16) 0.0822 (10)
C1 0.5641 (6) 0.8626 (4) 0.66407 (15) 0.0712 (11)
H1 0.5511 0.9749 0.6576 0.085*
C3 0.2953 (5) 0.6773 (5) 0.64922 (16) 0.0714 (11)
H3 0.2874 0.6622 0.685 0.086*
C12 0.1826 (5) 0.7462 (4) 0.86932 (15) 0.0647 (10)
C11 0.2352 (5) 0.8019 (4) 0.81856 (14) 0.0594 (9)
C10 0.4134 (5) 0.8780 (4) 0.80602 (14) 0.0636 (10)
H10A 0.5117 0.8061 0.8144 0.076*
H10B 0.4278 0.9696 0.8279 0.076*
C17 0.0087 (6) 0.6788 (4) 0.86442 (18) 0.0752 (11)
C18 0.0937 (5) 0.7666 (5) 0.78644 (16) 0.0735 (11)
H18 0.0899 0.7887 0.751 0.088*
C4 0.1767 (7) 0.5977 (6) 0.6164 (2) 0.0978 (15)
H4 0.091 0.5291 0.6303 0.117*
C16 −0.0813 (7) 0.6093 (6) 0.9064 (2) 0.0980 (15)
H16 −0.1963 0.5641 0.9025 0.118*
C13 0.2681 (7) 0.7464 (5) 0.91787 (17) 0.0867 (13)
H13 0.3831 0.791 0.9223 0.104*
C7 0.4333 (8) 0.7996 (6) 0.57627 (19) 0.1064 (17)
H7 0.5194 0.867 0.5619 0.128*
C8 0.7594 (6) 0.8189 (6) 0.6517 (2) 0.0986 (15)
H8A 0.7763 0.7089 0.6572 0.148*
H8B 0.8407 0.8761 0.6741 0.148*
H8C 0.7856 0.8439 0.616 0.148*
C15 0.0072 (10) 0.6104 (7) 0.9535 (2) 0.121 (2)
H15 −0.0488 0.5643 0.9822 0.146*
C14 0.1770 (10) 0.6781 (7) 0.9594 (2) 0.1179 (18)
H14 0.2318 0.678 0.9921 0.141*
C6 0.3115 (11) 0.7186 (9) 0.5442 (2) 0.138 (2)
H6 0.3174 0.7333 0.5084 0.166*
C5 0.1852 (9) 0.6192 (9) 0.5639 (3) 0.127 (2)
H5 0.1053 0.5664 0.5419 0.153*
H1N 0.589 (6) 0.757 (6) 0.7342 (17) 0.104 (16)*
H2N −0.147 (8) 0.659 (6) 0.7935 (18) 0.130 (18)*