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. 2009 Jan 14;65(Pt 2):o314–o315. doi: 10.1107/S1600536809001019
x y z Uiso*/Ueq
O1 0.40612 (14) 0.11111 (15) 0.61070 (13) 0.0480 (4)
C2 0.3081 (2) 0.0338 (2) 0.5793 (2) 0.0442 (5)
C3 0.2882 (2) 0.0715 (2) 0.4561 (2) 0.0527 (6)
H3 0.2234 0.0133 0.4387 0.063*
C4 0.3620 (2) 0.1982 (3) 0.3475 (2) 0.0537 (6)
C5 0.5576 (2) 0.4028 (2) 0.29261 (19) 0.0449 (5)
C6 0.6546 (2) 0.4693 (2) 0.3356 (2) 0.0492 (5)
H6 0.7123 0.5510 0.2758 0.059*
C7 0.6676 (2) 0.4163 (2) 0.4671 (2) 0.0465 (5)
C8 0.5847 (2) 0.2951 (2) 0.5581 (2) 0.0474 (5)
H8 0.5942 0.2582 0.6462 0.057*
C9 0.4678 (2) 0.2784 (2) 0.38264 (19) 0.0426 (5)
C10 0.4865 (2) 0.2302 (2) 0.51311 (19) 0.0424 (5)
C11 0.2310 (2) −0.0864 (2) 0.6973 (2) 0.0438 (5)
C12 0.2836 (2) −0.1350 (2) 0.8139 (2) 0.0505 (5)
H12 0.3721 −0.0956 0.8166 0.061*
C13 0.2065 (2) −0.2414 (2) 0.9265 (2) 0.0571 (6)
H13 0.2432 −0.2733 1.0042 0.069*
C14 0.0759 (3) −0.2999 (3) 0.9234 (2) 0.0643 (7)
H14 0.0226 −0.3694 0.9997 0.077*
C15 0.0242 (3) −0.2560 (3) 0.8081 (3) 0.0711 (7)
H15 −0.0632 −0.2979 0.8058 0.085*
C16 0.1004 (2) −0.1503 (3) 0.6951 (2) 0.0625 (6)
H16 0.0643 −0.1216 0.6171 0.075*
O17 0.33591 (19) 0.2322 (2) 0.23630 (16) 0.0923 (6)
O18 0.54047 (15) 0.44833 (16) 0.16484 (13) 0.0563 (4)
C19 0.6399 (2) 0.5593 (2) 0.06901 (19) 0.0516 (5)
H19A 0.6412 0.5540 −0.0162 0.062*
H19B 0.7360 0.5413 0.0900 0.062*
C20 0.6040 (2) 0.7112 (2) 0.06058 (19) 0.0472 (5)
O21 0.48863 (17) 0.74539 (18) 0.09905 (16) 0.0719 (5)
O22 0.71948 (15) 0.80238 (16) −0.00131 (15) 0.0588 (4)
C23 0.6961 (3) 0.9562 (3) −0.0494 (3) 0.0925 (9)
H23A 0.6518 0.9818 −0.1259 0.139*
H23B 0.7870 1.0117 −0.0721 0.139*
H23C 0.6337 0.9781 0.0176 0.139*
O24 0.76487 (16) 0.49744 (16) 0.49501 (14) 0.0630 (4)
C25 0.8002 (2) 0.4478 (2) 0.6227 (2) 0.0540 (6)
H25A 0.7126 0.4118 0.6880 0.065*
H25B 0.8438 0.5292 0.6354 0.065*
C26 0.9035 (2) 0.3269 (3) 0.6417 (2) 0.0522 (6)
O27 0.94183 (18) 0.2686 (2) 0.56667 (18) 0.0864 (6)
O28 0.94756 (16) 0.29423 (18) 0.75606 (15) 0.0627 (4)
C29 1.0535 (3) 0.1846 (3) 0.7853 (3) 0.0833 (8)
H29A 1.0141 0.0941 0.7869 0.125*
H29B 1.0775 0.1691 0.8696 0.125*
H29C 1.1389 0.2179 0.7189 0.125*