Skip to main content
. 2009 Dec 16;66(Pt 1):o163–o164. doi: 10.1107/S1600536809053410
x y z Uiso*/Ueq
Cl1 0.07819 (8) 0.35536 (5) 0.25360 (3) 0.02058 (15)
Cl2 0.30441 (7) 0.39346 (5) 0.73387 (3) 0.01894 (15)
O1A 0.0035 (2) 0.11592 (14) 0.36708 (11) 0.0185 (3)
H1A −0.0101 0.0550 0.4048 0.022*
O2A 0.1030 (2) 0.13961 (14) 0.57058 (11) 0.0198 (3)
O3A 0.3781 (2) 0.63101 (14) 0.62265 (11) 0.0168 (3)
H3A 0.3800 0.6958 0.5885 0.020*
O4A 0.2633 (2) 0.61192 (14) 0.41806 (11) 0.0174 (3)
C1A 0.1342 (3) 0.3619 (2) 0.38385 (15) 0.0142 (4)
C2A 0.0914 (3) 0.2440 (2) 0.42497 (15) 0.0149 (4)
C3A 0.1454 (3) 0.25105 (19) 0.53885 (15) 0.0142 (4)
C4A 0.2436 (3) 0.3875 (2) 0.60388 (14) 0.0139 (4)
C5A 0.2870 (3) 0.50807 (19) 0.56472 (15) 0.0134 (4)
C6A 0.2301 (3) 0.50147 (19) 0.45017 (15) 0.0132 (4)
O1B 0.5433 (2) 1.13507 (14) 0.43096 (11) 0.0189 (3)
C1B 0.4590 (3) 1.03933 (19) 0.35294 (15) 0.0147 (4)
N2B 0.3806 (3) 0.90640 (16) 0.35775 (12) 0.0158 (3)
H2BA 0.3923 0.8731 0.4149 0.019*
C3B 0.2729 (3) 0.8193 (2) 0.26005 (14) 0.0163 (4)
H3BA 0.1226 0.8081 0.2654 0.020*
H3BB 0.3141 0.7220 0.2424 0.020*
C4B 0.3395 (3) 0.90694 (19) 0.17620 (14) 0.0155 (4)
C5B 0.1561 (3) 0.9111 (2) 0.10248 (16) 0.0214 (4)
H5BA 0.0461 0.9484 0.1448 0.026*
H5BB 0.1986 0.9785 0.0568 0.026*
C6B 0.0727 (4) 0.7610 (2) 0.03391 (17) 0.0288 (5)
H6BA 0.0190 0.6956 0.0791 0.035*
H6BB −0.0418 0.7686 −0.0143 0.035*
C7B 0.2397 (4) 0.6977 (3) −0.02991 (17) 0.0320 (5)
H7BA 0.2827 0.7577 −0.0805 0.038*
H7BB 0.1841 0.5986 −0.0705 0.038*
C8B 0.4253 (4) 0.6919 (2) 0.04056 (17) 0.0278 (5)
H8BA 0.5350 0.6579 −0.0036 0.033*
H8BB 0.3866 0.6216 0.0847 0.033*
C9B 0.5062 (3) 0.8409 (2) 0.11141 (16) 0.0198 (4)
H9BA 0.5625 0.9073 0.0674 0.024*
H9BB 0.6193 0.8318 0.1598 0.024*
C10B 0.4297 (3) 1.0593 (2) 0.24256 (15) 0.0175 (4)
H10A 0.5621 1.0955 0.2170 0.021*
H10B 0.3340 1.1288 0.2394 0.021*