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. 2013 Jan 4;69(Pt 2):o150. doi: 10.1107/S1600536812051203
x y z Uiso*/Ueq
O1 0.82745 (16) 0.54561 (14) −0.10721 (8) 0.0321 (3)
O11 0.4389 (2) 0.62235 (18) −0.38788 (8) 0.0462 (4)
N9 0.77421 (19) 0.66480 (16) 0.08384 (9) 0.0272 (3)
C1 0.6548 (2) 0.63419 (18) −0.07581 (10) 0.0256 (4)
C2 0.4695 (2) 0.68389 (18) −0.13316 (10) 0.0259 (4)
C3 0.2549 (2) 0.77564 (19) −0.08760 (11) 0.0296 (4)
C4 0.2491 (2) 0.86429 (18) 0.00542 (11) 0.0275 (4)
C4A 0.4362 (2) 0.79645 (18) 0.05978 (10) 0.0258 (4)
C4B 0.4742 (2) 0.82727 (18) 0.15417 (10) 0.0279 (4)
C5 0.3503 (3) 0.9176 (2) 0.23067 (12) 0.0346 (5)
C6 0.4421 (3) 0.9234 (2) 0.31372 (12) 0.0404 (5)
C7 0.6555 (3) 0.8434 (2) 0.32410 (12) 0.0375 (5)
C8 0.7788 (3) 0.7521 (2) 0.25079 (11) 0.0328 (5)
C8A 0.6863 (2) 0.74409 (18) 0.16619 (10) 0.0285 (4)
C9A 0.6217 (2) 0.69588 (17) 0.01966 (10) 0.0252 (4)
C10 0.5039 (2) 0.63565 (19) −0.22508 (11) 0.0298 (4)
C12 0.2715 (3) 0.6422 (3) −0.44181 (13) 0.0492 (6)
C13 0.0838 (3) 0.6875 (2) −0.38630 (13) 0.0433 (5)
C14 0.1333 (3) 0.6999 (2) −0.29094 (12) 0.0366 (5)
C15 0.3511 (3) 0.6590 (2) −0.29413 (11) 0.0317 (4)
C17 0.7481 (3) 0.8590 (3) 0.41581 (13) 0.0476 (6)
H3A 0.19484 0.86329 −0.13780 0.0355*
H3B 0.15695 0.69133 −0.07227 0.0355*
H4A 0.11559 0.85019 0.04927 0.0329*
H4B 0.24433 0.98848 −0.01290 0.0329*
H5 0.20662 0.97310 0.22495 0.0415*
H6 0.35921 0.98317 0.36572 0.0485*
H8 0.92199 0.69650 0.25754 0.0394*
H9 0.900 (3) 0.600 (2) 0.0795 (13) 0.033 (5)*
H10 0.644 (3) 0.575 (2) −0.2485 (14) 0.038 (5)*
H12 0.28626 0.62615 −0.50943 0.0590*
H13 −0.05517 0.70746 −0.40667 0.0520*
H14 0.03333 0.73078 −0.23547 0.0439*
H17A 0.89806 0.80012 0.41094 0.0714*
H17B 0.74130 0.98028 0.42362 0.0714*
H17C 0.66510 0.80661 0.47255 0.0714*