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. 2020 Apr 21;76(Pt 5):720–723. doi: 10.1107/S2056989020005381
x y z Uiso*/Ueq
O1 0.84873 (15) 0.4571 (2) 0.84508 (9) 0.0662 (5)
O2 0.73311 (16) 0.59881 (16) 0.68577 (9) 0.0556 (4)
C1 0.7327 (2) 0.4250 (2) 0.81963 (11) 0.0432 (5)
C2 0.68555 (19) 0.3941 (2) 0.74035 (11) 0.0377 (5)
H2A 0.703396 0.297799 0.732533 0.045*
C3 0.53461 (19) 0.4203 (2) 0.71377 (10) 0.0380 (5)
H3A 0.519851 0.518223 0.718969 0.046*
C4 0.4572 (2) 0.3451 (3) 0.76099 (11) 0.0471 (6)
H4A 0.362962 0.369151 0.746260 0.056*
H4B 0.464862 0.247638 0.754221 0.056*
C5 0.5064 (2) 0.3775 (2) 0.83834 (10) 0.0388 (5)
C6 0.6339 (2) 0.4151 (2) 0.86315 (11) 0.0442 (5)
H6A 0.661662 0.436354 0.911083 0.053*
C7 0.7682 (2) 0.4818 (2) 0.70074 (11) 0.0401 (5)
C8 0.89014 (19) 0.4261 (2) 0.68142 (11) 0.0403 (5)
C9 0.9499 (2) 0.5025 (3) 0.63619 (12) 0.0532 (6)
H9A 0.912888 0.586024 0.619070 0.064*
C10 1.0629 (2) 0.4558 (3) 0.61664 (13) 0.0612 (7)
H10A 1.101409 0.507482 0.586302 0.073*
C11 1.1189 (2) 0.3329 (3) 0.64180 (13) 0.0580 (7)
H11A 1.194874 0.301126 0.628243 0.070*
C12 1.0623 (2) 0.2568 (3) 0.68717 (13) 0.0570 (6)
H12A 1.101121 0.174324 0.704782 0.068*
C13 0.9480 (2) 0.3026 (2) 0.70664 (12) 0.0486 (6)
H13A 0.909822 0.250122 0.736835 0.058*
C14 0.47921 (18) 0.3846 (2) 0.63661 (10) 0.0375 (5)
C15 0.4852 (2) 0.2530 (3) 0.61136 (12) 0.0515 (6)
H15A 0.529328 0.185343 0.641574 0.062*
C16 0.4257 (2) 0.2214 (3) 0.54103 (13) 0.0604 (7)
H16A 0.429682 0.132362 0.525007 0.073*
C17 0.3615 (2) 0.3190 (3) 0.49526 (13) 0.0620 (7)
H17A 0.322732 0.297407 0.448269 0.074*
C18 0.3552 (3) 0.4496 (3) 0.51981 (13) 0.0625 (7)
H18A 0.311330 0.516816 0.489171 0.075*
C19 0.4131 (2) 0.4825 (2) 0.58944 (12) 0.0491 (6)
H19A 0.407775 0.571668 0.604998 0.059*
C20 0.4106 (2) 0.3634 (2) 0.88513 (11) 0.0398 (5)
C21 0.2742 (2) 0.3877 (3) 0.86040 (13) 0.0550 (6)
H21A 0.241528 0.412364 0.813221 0.066*
C22 0.1862 (2) 0.3760 (3) 0.90421 (15) 0.0667 (8)
H22A 0.095277 0.393434 0.886588 0.080*
C23 0.2324 (3) 0.3389 (3) 0.97356 (15) 0.0662 (7)
H23A 0.173169 0.331066 1.003253 0.079*
C24 0.3663 (3) 0.3132 (3) 0.99904 (14) 0.0625 (7)
H24A 0.397718 0.287297 1.046135 0.075*
C25 0.4553 (2) 0.3253 (3) 0.95566 (12) 0.0516 (6)
H25A 0.545976 0.307812 0.973826 0.062*