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. 2021 Jan 19;77(Pt 2):142–147. doi: 10.1107/S2056989021000517
x y z Uiso*/Ueq
C1 0.8267 (2) 0.79164 (11) 0.32984 (7) 0.00863 (16)
C2 0.9897 (2) 0.96649 (11) 0.32560 (7) 0.00871 (16)
C3 0.8979 (2) 1.06490 (11) 0.24763 (7) 0.00957 (17)
C4 0.6603 (2) 0.99896 (12) 0.17358 (7) 0.01093 (17)
H4 0.604630 1.069994 0.121438 0.013*
C5 0.5045 (2) 0.82466 (12) 0.17771 (7) 0.00969 (16)
C6 0.5845 (2) 0.72297 (11) 0.25554 (7) 0.01008 (17)
H6 0.472768 0.605062 0.258199 0.012*
C7 0.9092 (2) 0.67213 (11) 0.40892 (7) 0.00943 (17)
C8 0.2606 (2) 0.74456 (13) 0.09293 (8) 0.01313 (18)
N1 1.0646 (2) 1.24888 (10) 0.24249 (7) 0.01242 (16)
O1 0.68411 (17) 0.53906 (9) 0.42044 (6) 0.01328 (15)
H1 0.743 (5) 0.469 (3) 0.4618 (17) 0.037 (5)*
O2 1.15606 (18) 0.69465 (9) 0.45466 (6) 0.01391 (15)
O3 0.9986 (3) 1.35882 (11) 0.29446 (9) 0.0333 (3)
O4 1.2576 (2) 1.27866 (12) 0.18631 (9) 0.0296 (2)
F1 0.12540 (18) 0.86369 (9) 0.05423 (6) 0.02163 (16)
F2 0.05311 (18) 0.61547 (10) 0.12436 (6) 0.02413 (17)
F3 0.36346 (19) 0.68013 (11) 0.01315 (6) 0.02649 (18)
Cl1 1.29187 (5) 1.06719 (3) 0.41157 (2) 0.01187 (7)