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. 2011 Feb 26;67(Pt 3):o728–o729. doi: 10.1107/S160053681100660X
x y z Uiso*/Ueq
C1 0.50019 (6) 0.26912 (11) 0.95475 (8) 0.0164
C2 0.54654 (6) 0.20061 (11) 0.93269 (8) 0.0149
C3 0.53732 (6) 0.08279 (11) 0.91462 (8) 0.0167
C4 0.57355 (6) 0.02376 (11) 0.88215 (8) 0.0170
C5 0.61874 (6) 0.08366 (11) 0.86547 (8) 0.0168
C6 0.62966 (6) 0.20102 (11) 0.88333 (8) 0.0148
C7 0.67218 (6) 0.27004 (11) 0.85493 (8) 0.0163
C8 0.62887 (6) 0.33794 (11) 0.77464 (8) 0.0143
C9 0.61781 (6) 0.45548 (11) 0.77855 (8) 0.0160
C10 0.57288 (6) 0.51528 (11) 0.70662 (8) 0.0164
C11 0.53667 (6) 0.45584 (11) 0.63009 (8) 0.0159
C12 0.54589 (6) 0.33795 (11) 0.62379 (8) 0.0144
C13 0.59403 (6) 0.28149 (10) 0.69587 (8) 0.0137
C14 0.59478 (6) 0.25714 (10) 0.91977 (8) 0.0145
C15 0.55982 (8) −0.10064 (12) 0.85763 (10) 0.0239
C16 0.56055 (8) 0.64034 (12) 0.71362 (10) 0.0231
O17 0.60538 (4) 0.37378 (8) 0.93772 (6) 0.0152
C18 0.65446 (7) 0.39656 (12) 1.02414 (8) 0.0203
C19 0.66500 (8) 0.52464 (13) 1.03584 (10) 0.0267
C20 0.71259 (8) 0.55535 (15) 1.12794 (11) 0.0327
O21 0.60378 (5) 0.16480 (8) 0.69063 (6) 0.0160
C22 0.65246 (7) 0.13892 (11) 0.66358 (9) 0.0186
C23 0.64766 (7) 0.01154 (13) 0.64361 (10) 0.0246
C24 0.69974 (8) −0.02954 (15) 0.61997 (11) 0.0314
Cl25 0.61811 (3) −0.19788 (3) 0.93509 (3) 0.0381
Cl26 0.62004 (3) 0.73262 (3) 0.70485 (3) 0.0407
H11 0.5243 0.3212 1.0025 0.0157*
H12 0.4747 0.2162 0.9728 0.0143*
H31 0.5042 0.0438 0.9235 0.0150*
H51 0.6414 0.0427 0.8393 0.0158*
H72 0.7020 0.3210 0.9014 0.0138*
H71 0.6988 0.2163 0.8411 0.0144*
H91 0.6406 0.4933 0.8305 0.0136*
H111 0.5048 0.4966 0.5830 0.0128*
H151 0.5183 −0.1218 0.8522 0.0232*
H152 0.5596 −0.1137 0.8038 0.0233*
H162 0.5642 0.6536 0.7693 0.0219*
H161 0.5193 0.6646 0.6685 0.0223*
H181 0.6947 0.3556 1.0335 0.0207*
H182 0.6413 0.3680 1.0656 0.0205*
H192 0.6830 0.5531 0.9985 0.0289*
H191 0.6222 0.5628 1.0206 0.0279*
H201 0.7230 0.6366 1.1318 0.0433*
H203 0.7532 0.5123 1.1473 0.0441*
H202 0.6935 0.5370 1.1652 0.0450*
H221 0.6956 0.1595 0.7082 0.0178*
H222 0.6420 0.1815 0.6115 0.0173*
H231 0.6530 −0.0287 0.6945 0.0258*
H232 0.6051 −0.0045 0.5971 0.0253*
H242 0.6953 −0.1109 0.6068 0.0429*
H241 0.7421 −0.0116 0.6648 0.0429*
H243 0.6957 0.0125 0.5702 0.0441*