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. 2011 Feb 26;67(Pt 3):o735. doi: 10.1107/S160053681100612X
x y z Uiso*/Ueq
N1 0.1498 (4) 0.0866 (2) 0.89083 (7) 0.0245 (5)
N2 0.0660 (4) 0.1260 (2) 0.75130 (7) 0.0265 (5)
N3 0.3789 (4) 0.4000 (2) 0.71465 (7) 0.0311 (6)
O1 0.3831 (4) 0.45515 (18) 0.67293 (6) 0.0327 (5)
H1O 0.4731 0.5164 0.6730 0.049*
Cl1 0.28052 (15) −0.51575 (6) 0.95786 (2) 0.0408 (2)
C1 0.1254 (5) 0.1143 (3) 0.84757 (8) 0.0263 (6)
H1 0.0091 0.0816 0.8293 0.032*
C2 0.3379 (5) 0.1501 (2) 0.90706 (9) 0.0257 (6)
C3 0.4304 (5) 0.1521 (2) 0.94836 (9) 0.0313 (7)
H3 0.3656 0.1040 0.9711 0.038*
C4 0.6191 (5) 0.2263 (3) 0.95518 (10) 0.0338 (7)
H4 0.6823 0.2314 0.9834 0.041*
C5 0.7198 (5) 0.2941 (2) 0.92199 (9) 0.0357 (7)
H5 0.8529 0.3425 0.9276 0.043*
C6 0.6283 (5) 0.2917 (2) 0.88076 (9) 0.0303 (7)
H6 0.6975 0.3385 0.8582 0.036*
C7 0.4340 (5) 0.2203 (2) 0.87271 (9) 0.0252 (6)
C8 0.2938 (5) 0.1964 (2) 0.83457 (8) 0.0241 (6)
C9 0.3253 (5) 0.2570 (2) 0.79299 (9) 0.0249 (6)
H9 0.4310 0.3245 0.7925 0.030*
C10 0.2250 (5) 0.2300 (2) 0.75544 (8) 0.0232 (6)
C11 0.2554 (5) 0.2987 (2) 0.71447 (8) 0.0254 (6)
C12 0.1228 (5) 0.2401 (3) 0.67821 (9) 0.0307 (7)
H12 0.1483 0.2857 0.6504 0.037*
C13 −0.1316 (5) 0.2419 (3) 0.69126 (10) 0.0371 (7)
H13A −0.2244 0.1972 0.6694 0.044*
H13B −0.1872 0.3292 0.6931 0.044*
C14 −0.1551 (5) 0.1767 (3) 0.73590 (9) 0.0306 (7)
H14A −0.2140 0.2376 0.7573 0.037*
H14B −0.2677 0.1078 0.7336 0.037*
C15 0.1538 (5) 0.0380 (2) 0.71842 (8) 0.0297 (7)
H15A 0.0415 −0.0303 0.7143 0.036*
H15B 0.2984 0.0004 0.7289 0.036*
C16 0.1976 (6) 0.1027 (3) 0.67474 (9) 0.0355 (7)
H16A 0.3624 0.0980 0.6674 0.043*
H16B 0.1096 0.0603 0.6517 0.043*
C17 −0.0065 (5) 0.0109 (2) 0.91598 (9) 0.0283 (6)
H17A −0.1531 0.0046 0.9001 0.034*
H17B −0.0380 0.0546 0.9435 0.034*
C18 0.0755 (5) −0.1200 (3) 0.92624 (8) 0.0256 (6)
C19 −0.0692 (5) −0.1968 (3) 0.95003 (8) 0.0289 (6)
H19 −0.2120 −0.1649 0.9597 0.035*
C20 −0.0099 (5) −0.3190 (2) 0.95994 (9) 0.0295 (6)
H20 −0.1105 −0.3710 0.9760 0.035*
C21 0.1993 (5) −0.3631 (2) 0.94579 (9) 0.0291 (7)
C22 0.3478 (5) −0.2890 (2) 0.92239 (8) 0.0292 (7)
H22 0.4916 −0.3209 0.9131 0.035*
C23 0.2838 (5) −0.1665 (2) 0.91249 (8) 0.0263 (6)
H23 0.3841 −0.1148 0.8962 0.032*