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. 2011 Jul 6;67(Pt 8):o1920. doi: 10.1107/S1600536811025074
x y z Uiso*/Ueq
Cl1 0.10661 (8) 0.44819 (7) 0.35541 (6) 0.0712 (2)
O1 0.1974 (3) 0.1497 (2) 0.57035 (16) 0.0823 (6)
O2 0.7048 (2) 0.76828 (18) 0.88016 (14) 0.0742 (5)
O3 0.7880 (2) 0.93410 (17) 0.80065 (14) 0.0624 (5)
O4 0.3749 (3) 0.8614 (2) 0.41307 (17) 0.0802 (6)
O5 0.3627 (3) 0.6544 (2) 0.28559 (16) 0.0862 (6)
N1 0.1289 (2) 0.11990 (18) 0.88732 (15) 0.0386 (4)
H1A 0.0241 (16) 0.0568 (17) 0.8704 (17) 0.042 (6)*
H1B 0.176 (3) 0.151 (2) 0.9662 (10) 0.052 (6)*
N2 0.3733 (2) 0.7373 (2) 0.38805 (18) 0.0578 (5)
C1 0.2358 (3) 0.0336 (2) 0.81718 (18) 0.0452 (5)
C2 0.0998 (3) 0.2474 (2) 0.86054 (19) 0.0460 (5)
C3 0.0313 (3) 0.1960 (3) 0.7231 (2) 0.0561 (6)
H3A −0.0898 0.1326 0.7014 0.067*
H3B 0.0300 0.2788 0.7019 0.067*
C4 0.1398 (3) 0.1179 (3) 0.6502 (2) 0.0559 (6)
C5 0.1637 (3) −0.0069 (3) 0.68090 (19) 0.0575 (6)
H5A 0.2447 −0.0452 0.6356 0.069*
H5B 0.0505 −0.0824 0.6552 0.069*
C6 0.2039 (3) −0.1004 (2) 0.8498 (2) 0.0587 (6)
H6A 0.2490 −0.0723 0.9354 0.088*
H6B 0.2636 −0.1627 0.8047 0.088*
H6C 0.0791 −0.1504 0.8297 0.088*
C7 0.4326 (3) 0.1167 (3) 0.8553 (2) 0.0642 (7)
H7A 0.4688 0.1553 0.9425 0.096*
H7B 0.4550 0.1943 0.8259 0.096*
H7C 0.4984 0.0532 0.8216 0.096*
C8 −0.0406 (3) 0.2880 (3) 0.9280 (2) 0.0639 (7)
H8A 0.0056 0.3221 1.0141 0.096*
H8B −0.1435 0.2050 0.9045 0.096*
H8C −0.0723 0.3627 0.9080 0.096*
C9 0.2697 (3) 0.3757 (2) 0.9055 (2) 0.0682 (7)
H9A 0.3208 0.3943 0.9885 0.102*
H9B 0.2425 0.4593 0.9006 0.102*
H9C 0.3525 0.3541 0.8558 0.102*
C10 0.4375 (3) 0.5931 (2) 0.67661 (19) 0.0457 (5)
H10A 0.4547 0.5605 0.7398 0.055*
C11 0.5459 (2) 0.7263 (2) 0.68617 (17) 0.0379 (5)
C12 0.5203 (2) 0.7728 (2) 0.59146 (17) 0.0410 (5)
H12A 0.5910 0.8622 0.5968 0.049*
C13 0.3893 (3) 0.6860 (2) 0.48870 (18) 0.0419 (5)
C14 0.2792 (3) 0.5541 (2) 0.47945 (18) 0.0442 (5)
C15 0.3041 (3) 0.5083 (2) 0.5742 (2) 0.0501 (5)
H15A 0.2311 0.4200 0.5696 0.060*
C16 0.6921 (3) 0.8182 (2) 0.79869 (18) 0.0444 (5)