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. 2016 Feb 17;72(Pt 3):350–354. doi: 10.1107/S2056989016002516
x y z Uiso*/Ueq
S1 0.5000 1.0000 −0.13764 (18) 0.0590 (4)
Cl1 0.15354 (6) 0.67176 (16) 0.4970 (2) 0.1059 (5)
N1 0.41391 (14) 0.6958 (3) −0.0839 (5) 0.0612 (8)
C2 0.43185 (16) 0.7244 (4) −0.2735 (6) 0.0589 (10)
H2A 0.4204 0.6496 −0.3812 0.071*
C3 0.46969 (15) 0.8689 (4) −0.3311 (5) 0.0544 (9)
C4 0.48309 (16) 0.9247 (4) −0.5338 (5) 0.0640 (10)
H4A 0.4711 0.8688 −0.6581 0.077*
C5 0.37559 (18) 0.5438 (4) −0.0520 (7) 0.0677 (11)
H5A 0.3625 0.5021 −0.1927 0.081*
C6 0.4148 (2) 0.4087 (5) 0.0553 (9) 0.0986 (17)
H6A 0.4484 0.3803 −0.0369 0.148*
H6B 0.3905 0.3098 0.0810 0.148*
H6C 0.4302 0.4509 0.1892 0.148*
C7 0.31964 (17) 0.5839 (4) 0.0796 (5) 0.0555 (9)
C8 0.26313 (19) 0.5202 (5) 0.0255 (7) 0.0701 (10)
H8A 0.2593 0.4575 −0.0999 0.084*
C9 0.21198 (19) 0.5464 (5) 0.1512 (7) 0.0735 (11)
H9A 0.1744 0.5020 0.1109 0.088*
C10 0.21746 (18) 0.6384 (5) 0.3351 (6) 0.0640 (10)
C11 0.2728 (2) 0.7062 (5) 0.3945 (6) 0.0691 (10)
H11A 0.2761 0.7692 0.5199 0.083*
C12 0.32346 (18) 0.6802 (4) 0.2665 (5) 0.0623 (9)
H12A 0.3607 0.7276 0.3056 0.075*