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. 2011 Oct 5;67(Pt 11):o2829. doi: 10.1107/S1600536811039705
x y z Uiso*/Ueq
C1 0.2652 (2) 0.06505 (18) 0.27600 (9) 0.0556 (5)
C2 0.1266 (2) 0.1058 (2) 0.28782 (11) 0.0751 (6)
H2 0.1027 0.1900 0.2854 0.090*
C3 0.0258 (3) 0.0206 (4) 0.30312 (14) 0.1056 (10)
H3 −0.0677 0.0471 0.3109 0.127*
C4 0.0599 (4) −0.1031 (4) 0.30715 (13) 0.1126 (12)
H4 −0.0105 −0.1603 0.3173 0.135*
C5 0.1988 (4) −0.1433 (3) 0.29616 (13) 0.0992 (9)
H5 0.2224 −0.2276 0.2994 0.119*
C6 0.3021 (3) −0.0594 (2) 0.28043 (11) 0.0713 (6)
H6 0.3958 −0.0861 0.2729 0.086*
C7 0.56766 (19) 0.14212 (16) 0.38858 (10) 0.0522 (5)
C8 0.6548 (2) 0.04173 (18) 0.37621 (13) 0.0661 (6)
H8 0.6619 0.0176 0.3305 0.079*
C9 0.7310 (2) −0.0212 (2) 0.43485 (15) 0.0789 (7)
H9 0.7893 −0.0900 0.4283 0.095*
C10 0.7227 (2) 0.0153 (2) 0.50279 (14) 0.0761 (6)
H10 0.7770 −0.0279 0.5412 0.091*
C11 0.6352 (2) 0.11476 (18) 0.51438 (12) 0.0641 (5)
H11 0.6297 0.1391 0.5603 0.077*
C12 0.55535 (19) 0.17832 (16) 0.45685 (10) 0.0498 (4)
C13 0.45251 (18) 0.28238 (15) 0.45167 (9) 0.0464 (4)
C14 0.40052 (19) 0.35208 (15) 0.50305 (10) 0.0487 (4)
H14 0.4316 0.3350 0.5510 0.058*
C15 0.30071 (18) 0.44786 (15) 0.48026 (9) 0.0450 (4)
C16 0.2592 (2) 0.47184 (15) 0.40826 (9) 0.0489 (4)
C17 0.3092 (2) 0.40679 (16) 0.35562 (10) 0.0534 (5)
H17 0.2806 0.4264 0.3079 0.064*
C18 0.40576 (19) 0.30960 (15) 0.37963 (9) 0.0473 (4)
C19 0.21968 (19) 0.53778 (15) 0.51514 (10) 0.0485 (4)
C20 0.2091 (2) 0.56435 (19) 0.58450 (10) 0.0620 (5)
H20 0.2654 0.5200 0.6218 0.074*
C21 0.1136 (2) 0.6577 (2) 0.59692 (12) 0.0690 (6)
H21 0.1056 0.6764 0.6433 0.083*
C22 0.0298 (2) 0.7241 (2) 0.54246 (12) 0.0693 (6)
H22 −0.0343 0.7864 0.5527 0.083*
C23 0.0385 (2) 0.70030 (18) 0.47297 (12) 0.0656 (5)
H23 −0.0179 0.7450 0.4358 0.079*
C24 0.1350 (2) 0.60726 (16) 0.46146 (10) 0.0530 (4)
N1 0.47915 (16) 0.22546 (13) 0.33891 (8) 0.0525 (4)
O1 0.50962 (17) 0.11440 (14) 0.22963 (8) 0.0782 (4)
O2 0.31857 (18) 0.27874 (12) 0.22364 (7) 0.0715 (4)
O3 0.15849 (15) 0.57003 (11) 0.39524 (7) 0.0602 (4)
S1 0.39665 (6) 0.17516 (5) 0.25941 (2) 0.05766 (16)