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. 2022 Feb 8;78(Pt 3):297–305. doi: 10.1107/S2056989022000950
x y z Uiso*/Ueq
C1 0.4290 (8) 0.2664 (5) 0.9270 (3) 0.0361 (10)
C2 0.5101 (6) 0.2716 (5) 0.8223 (3) 0.0259 (8)
C3 0.3572 (6) 0.3479 (5) 0.7572 (3) 0.0274 (9)
H3 0.207249 0.403788 0.779424 0.033*
C4 0.4208 (6) 0.3432 (5) 0.6611 (3) 0.0269 (8)
H4 0.314467 0.395672 0.617458 0.032*
C5 0.6407 (6) 0.2620 (4) 0.6270 (2) 0.0228 (8)
C6 0.7958 (6) 0.1861 (5) 0.6926 (3) 0.0260 (8)
H6 0.947277 0.131744 0.670270 0.031*
C7 0.7301 (6) 0.1899 (5) 0.7885 (2) 0.0253 (8)
H7 0.834978 0.136384 0.832438 0.030*
C8 0.9209 (6) 0.2491 (5) 0.4709 (3) 0.0257 (8)
C9 0.9138 (6) 0.2390 (5) 0.3692 (3) 0.0238 (8)
C10 0.7131 (6) 0.1552 (5) 0.3439 (3) 0.0265 (8)
H10 0.572074 0.103421 0.392070 0.032*
C11 0.7225 (6) 0.1487 (5) 0.2481 (3) 0.0302 (9)
H11 0.587155 0.091657 0.230932 0.036*
C12 0.9254 (7) 0.2236 (5) 0.1773 (3) 0.0304 (9)
H12 0.928932 0.218903 0.111750 0.036*
C13 1.1249 (7) 0.3062 (5) 0.2021 (3) 0.0303 (9)
H13 1.265418 0.357914 0.153574 0.036*
C14 1.1180 (6) 0.3127 (5) 0.2979 (3) 0.0280 (9)
H14 1.255099 0.368467 0.314711 0.034*
F1 0.3071 (5) 0.4105 (3) 0.94336 (17) 0.0520 (7)
F2 0.6234 (5) 0.2548 (4) 0.97444 (18) 0.0599 (8)
F3 0.2713 (5) 0.1294 (4) 0.97311 (18) 0.0606 (8)
N1 0.6886 (5) 0.2533 (4) 0.5288 (2) 0.0253 (7)
O1 1.1224 (4) 0.2563 (4) 0.49980 (18) 0.0359 (7)
H1 0.541 (5) 0.261 (6) 0.495 (3) 0.052 (13)*