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. 2018 Oct 9;74(Pt 11):1553–1560. doi: 10.1107/S2056989018014020
x y z Uiso*/Ueq
O13 −0.3161 (6) 0.81289 (19) 0.42174 (19) 0.0376 (7)
H13 −0.382 (10) 0.799 (3) 0.485 (3) 0.045 (12)*
O21 0.3629 (5) 0.73710 (18) 0.18056 (18) 0.0331 (6)
O31 0.6683 (6) 0.57595 (18) 0.1198 (2) 0.0370 (7)
N12 −0.1250 (7) 0.7305 (2) 0.4137 (2) 0.0328 (7)
C1 0.1671 (8) 0.6379 (3) 0.3072 (3) 0.0311 (8)
C2 0.3440 (8) 0.6450 (2) 0.2283 (3) 0.0309 (8)
C3 0.5135 (8) 0.5622 (2) 0.1997 (3) 0.0315 (8)
C4 0.5069 (9) 0.4725 (3) 0.2525 (2) 0.0331 (9)
H4 0.620619 0.415756 0.234431 0.040*
C5 0.3334 (9) 0.4664 (3) 0.3318 (3) 0.0344 (8)
H5 0.332576 0.405472 0.368039 0.041*
C6 0.1631 (9) 0.5468 (3) 0.3588 (3) 0.0338 (9)
H6 0.042859 0.540487 0.412457 0.041*
C11 −0.0229 (8) 0.7232 (2) 0.3309 (3) 0.0332 (8)
H11 −0.069638 0.772807 0.284541 0.040*
C21 0.2048 (9) 0.7399 (3) 0.0942 (3) 0.0374 (9)
H21A 0.230310 0.806598 0.064099 0.056*
H21B 0.001542 0.728827 0.107410 0.056*
H21C 0.274481 0.686165 0.052004 0.056*
C31 0.8511 (10) 0.4933 (3) 0.0919 (3) 0.0390 (10)
H31A 0.952242 0.511808 0.033893 0.059*
H31B 0.735578 0.432080 0.080781 0.059*
H31C 0.990297 0.479650 0.141905 0.059*