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. 2018 Oct 9;74(Pt 11):1553–1560. doi: 10.1107/S2056989018014020
x y z Uiso*/Ueq
O13 −0.22417 (16) 0.06653 (12) 0.08642 (7) 0.0311 (2)
O21 0.29524 (16) 0.56560 (10) 0.41358 (7) 0.0261 (2)
O41 1.14895 (16) 0.88605 (11) 0.31075 (7) 0.0273 (2)
N12 0.05891 (19) 0.17759 (13) 0.09919 (8) 0.0255 (3)
C1 0.3951 (2) 0.45758 (15) 0.22073 (10) 0.0231 (3)
C2 0.4791 (2) 0.58860 (15) 0.33490 (9) 0.0228 (3)
C3 0.7331 (2) 0.72870 (15) 0.36234 (9) 0.0237 (3)
H3 0.789071 0.815115 0.439846 0.028*
C4 0.9063 (2) 0.74213 (15) 0.27541 (10) 0.0238 (3)
C5 0.8276 (2) 0.61490 (15) 0.16177 (10) 0.0247 (3)
H5 0.945380 0.624026 0.102665 0.030*
C6 0.5741 (2) 0.47475 (15) 0.13657 (10) 0.0245 (3)
H6 0.520758 0.387495 0.059294 0.029*
C11 0.1194 (2) 0.31641 (15) 0.19252 (10) 0.0242 (3)
H11 −0.017316 0.328624 0.244952 0.029*
C21 0.3513 (2) 0.70704 (15) 0.52560 (9) 0.0281 (3)
H21A 0.196509 0.679099 0.571095 0.042*
H21B 0.364539 0.821605 0.514202 0.042*
H21C 0.531398 0.717369 0.568289 0.042*
C41 1.3260 (2) 0.90933 (16) 0.22272 (10) 0.0278 (3)
H41A 1.490351 1.018155 0.257704 0.042*
H41B 1.216391 0.922054 0.158580 0.042*
H41C 1.392155 0.803696 0.191690 0.042*
H13 −0.235 (4) −0.031 (2) 0.0244 (16) 0.049 (5)*