Skip to main content
. 2020 Apr 7;76(Pt 5):629–636. doi: 10.1107/S2056989020004119
x y z Uiso*/Ueq
Cl1 0.50488 (5) 0.51497 (7) 0.19568 (3) 0.03952 (18)
S1 0.44083 (4) 0.78070 (6) 0.47131 (3) 0.02735 (16)
O1 0.31103 (13) 0.39288 (15) 0.41536 (8) 0.0264 (3)
O2 0.05392 (14) 0.49512 (17) 0.29883 (9) 0.0341 (4)
O3 −0.04896 (13) 0.37965 (16) 0.37586 (9) 0.0306 (3)
N1 0.21745 (14) 0.60019 (17) 0.43805 (10) 0.0223 (3)
C1 0.19875 (18) 0.7541 (2) 0.42964 (11) 0.0216 (4)
C2 0.08488 (19) 0.8137 (2) 0.40863 (13) 0.0272 (4)
H2 0.019 (2) 0.750 (3) 0.3964 (15) 0.032 (6)*
C3 0.0683 (2) 0.9646 (2) 0.40245 (13) 0.0299 (5)
H3 −0.010 (3) 1.002 (3) 0.3866 (16) 0.038 (7)*
C4 0.1643 (2) 1.0587 (2) 0.41608 (13) 0.0294 (5)
H4 0.152 (3) 1.159 (3) 0.4110 (17) 0.045 (7)*
C5 0.2778 (2) 1.0009 (2) 0.43568 (13) 0.0274 (4)
H5 0.345 (2) 1.066 (3) 0.4429 (15) 0.033 (6)*
C6 0.29556 (17) 0.8496 (2) 0.44327 (11) 0.0228 (4)
C7 0.41573 (18) 0.6168 (2) 0.41447 (11) 0.0224 (4)
C8 0.31254 (18) 0.5270 (2) 0.42214 (11) 0.0214 (4)
C9 0.48358 (18) 0.5650 (2) 0.36782 (12) 0.0239 (4)
H9 0.461 (2) 0.474 (3) 0.3411 (15) 0.030 (6)*
C10 0.58341 (18) 0.6384 (2) 0.34694 (12) 0.0230 (4)
C11 0.59934 (19) 0.6260 (2) 0.26787 (12) 0.0266 (4)
C12 0.6869 (2) 0.7022 (2) 0.24392 (13) 0.0308 (5)
H12 0.693 (2) 0.689 (3) 0.1896 (16) 0.039 (7)*
C13 0.7644 (2) 0.7914 (2) 0.29922 (13) 0.0316 (5)
H13 0.826 (3) 0.842 (3) 0.2818 (17) 0.042 (7)*
C14 0.75389 (19) 0.8019 (2) 0.37885 (13) 0.0281 (4)
H14 0.808 (2) 0.863 (3) 0.4187 (16) 0.037 (7)*
C15 0.66479 (18) 0.7271 (2) 0.40190 (12) 0.0255 (4)
H15 0.659 (2) 0.733 (2) 0.4564 (15) 0.027 (6)*
C16 0.11979 (18) 0.5077 (2) 0.44607 (12) 0.0235 (4)
H16A 0.151 (2) 0.421 (3) 0.4763 (15) 0.029 (6)*
H16B 0.077 (2) 0.556 (3) 0.4769 (14) 0.026 (6)*
C17 0.03970 (18) 0.4622 (2) 0.36420 (12) 0.0244 (4)
C18 −0.1348 (2) 0.3263 (3) 0.30254 (15) 0.0386 (5)
H18A −0.092 (3) 0.255 (3) 0.2763 (18) 0.048 (8)*
H18B −0.161 (3) 0.410 (3) 0.2641 (19) 0.049 (8)*
C19 −0.2350 (3) 0.2585 (4) 0.3297 (2) 0.0509 (7)
H19A −0.205 (3) 0.173 (3) 0.370 (2) 0.054 (8)*
H19B −0.289 (3) 0.220 (4) 0.283 (2) 0.069 (10)*
H19C −0.274 (3) 0.331 (4) 0.359 (2) 0.061 (9)*