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. 2011 Nov 25;67(Pt 12):o3422–o3423. doi: 10.1107/S1600536811048653
x y z Uiso*/Ueq
Cl1 0.09590 (5) 0.86248 (3) 0.08433 (5) 0.03151 (13)
S1 0.68053 (5) 0.94142 (2) 0.38418 (4) 0.01701 (10)
F1 1.00621 (13) 0.87358 (6) 0.32771 (11) 0.0301 (3)
F2 0.68850 (14) 0.78856 (5) 0.47897 (11) 0.0313 (3)
O1 0.29452 (13) 0.86279 (6) −0.34883 (11) 0.0175 (3)
O2 0.48997 (14) 0.88263 (6) −0.44702 (11) 0.0175 (3)
O3 0.75145 (14) 0.93893 (6) −0.31485 (11) 0.0182 (3)
N1 0.77291 (16) 0.99061 (7) 0.11532 (13) 0.0162 (3)
N2 0.79349 (16) 0.99452 (7) 0.23776 (13) 0.0163 (3)
N3 0.61625 (16) 0.92492 (6) 0.13604 (13) 0.0137 (3)
C1 0.47268 (19) 0.90647 (8) −0.14903 (15) 0.0147 (3)
H1A 0.4059 0.8999 −0.1136 0.018*
C2 0.42908 (18) 0.89043 (8) −0.27358 (15) 0.0146 (3)
C3 0.52434 (19) 0.90190 (8) −0.32781 (15) 0.0139 (3)
C4 0.66518 (19) 0.92956 (8) −0.25484 (15) 0.0143 (3)
C5 0.71188 (18) 0.94367 (8) −0.12895 (15) 0.0146 (3)
H5A 0.8088 0.9609 −0.0791 0.018*
C6 0.61431 (19) 0.93212 (8) −0.07673 (15) 0.0136 (3)
C7 0.66734 (18) 0.94915 (8) 0.05602 (15) 0.0137 (3)
C8 0.69995 (18) 0.95528 (8) 0.24881 (15) 0.0143 (3)
C9 0.50775 (19) 0.87636 (8) 0.11320 (14) 0.0139 (3)
C10 0.5402 (2) 0.81642 (8) 0.09147 (16) 0.0180 (3)
H10A 0.6346 0.8069 0.0944 0.022*
C11 0.4324 (2) 0.77023 (9) 0.06527 (16) 0.0216 (4)
H11A 0.4528 0.7289 0.0494 0.026*
C12 0.2952 (2) 0.78418 (9) 0.06222 (17) 0.0223 (4)
H12A 0.2215 0.7527 0.0442 0.027*
C13 0.2666 (2) 0.84463 (9) 0.08571 (16) 0.0196 (4)
C14 0.37204 (19) 0.89165 (8) 0.11156 (15) 0.0156 (3)
H14A 0.3518 0.9329 0.1276 0.019*
C15 0.8492 (2) 0.89379 (8) 0.47096 (16) 0.0180 (4)
H15A 0.9389 0.9180 0.4825 0.022*
H15B 0.8586 0.8847 0.5553 0.022*
C16 0.84819 (19) 0.83360 (8) 0.40752 (15) 0.0174 (3)
C17 0.9269 (2) 0.82486 (9) 0.33895 (16) 0.0201 (4)
C18 0.9289 (2) 0.76939 (9) 0.28106 (17) 0.0251 (4)
H18A 0.9852 0.7655 0.2354 0.030*
C19 0.8471 (2) 0.71991 (9) 0.29131 (18) 0.0270 (4)
H19A 0.8467 0.6815 0.2521 0.032*
C20 0.7655 (2) 0.72574 (9) 0.35825 (17) 0.0256 (4)
H20A 0.7092 0.6918 0.3657 0.031*
C21 0.7685 (2) 0.78214 (9) 0.41376 (16) 0.0208 (4)
C22 0.2031 (2) 0.84505 (9) −0.29081 (17) 0.0204 (4)
H22A 0.1137 0.8230 −0.3518 0.031*
H22B 0.1720 0.8823 −0.2616 0.031*
H22C 0.2609 0.8178 −0.2193 0.031*
C23 0.3695 (2) 0.91553 (10) −0.54687 (16) 0.0236 (4)
H23A 0.3463 0.8955 −0.6272 0.035*
H23B 0.4001 0.9587 −0.5485 0.035*
H23C 0.2801 0.9148 −0.5331 0.035*
C24 0.8921 (2) 0.97061 (9) −0.24538 (18) 0.0237 (4)
H24A 0.9396 0.9779 −0.2999 0.036*
H24B 0.9586 0.9450 −0.1737 0.036*
H24C 0.8740 1.0105 −0.2151 0.036*