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. 2022 Feb 3;78(Pt 3):275–281. doi: 10.1107/S2056989022000962
x y z Uiso*/Ueq
C2 0.6667 (3) 0.8425 (2) −0.08322 (15) 0.0350 (5)
C3 0.7271 (2) 0.9337 (2) −0.02410 (14) 0.0308 (4)
C4 0.6724 (2) 1.0681 (2) −0.04289 (13) 0.0279 (4)
C5 0.7097 (3) 1.1876 (2) 0.00262 (15) 0.0351 (5)
C6 0.6420 (3) 1.3057 (2) −0.02866 (17) 0.0415 (5)
C7 0.5388 (3) 1.3091 (2) −0.10526 (17) 0.0434 (6)
C8 0.5000 (3) 1.1942 (2) −0.15099 (15) 0.0397 (5)
C9 0.5672 (2) 1.0732 (2) −0.11926 (13) 0.0306 (4)
C11 0.8796 (3) 0.6562 (2) −0.13223 (14) 0.0359 (5)
C12 0.9622 (3) 0.5360 (2) −0.11839 (17) 0.0459 (6)
C13 1.1021 (3) 0.5172 (3) −0.15346 (19) 0.0547 (7)
C14 1.1602 (3) 0.6167 (3) −0.20217 (19) 0.0539 (7)
C15 1.0784 (3) 0.7353 (3) −0.21568 (17) 0.0466 (6)
C16 0.9382 (3) 0.7558 (2) −0.18094 (16) 0.0408 (5)
S1 0.53633 (8) 0.91592 (6) −0.16492 (4) 0.04052 (14)
S10 0.69891 (8) 0.66946 (6) −0.08560 (5) 0.04924 (16)
I1 0.88517 (2) 0.88685 (2) 0.08375 (2) 0.04613 (7)
H5 0.779 (3) 1.183 (3) 0.0538 (17) 0.047 (7)*
H6 0.667 (3) 1.387 (3) −0.0011 (18) 0.048 (8)*
H7 0.502 (3) 1.394 (3) −0.1290 (19) 0.059 (9)*
H8 0.434 (3) 1.196 (3) −0.2021 (17) 0.049 (7)*
H12 0.924 (3) 0.471 (3) −0.0845 (17) 0.049 (7)*
H13 1.162 (3) 0.435 (3) −0.1465 (19) 0.061 (8)*
H14 1.251 (4) 0.604 (3) −0.229 (2) 0.071 (10)*
H15 1.116 (3) 0.797 (3) −0.2450 (17) 0.043 (7)*
H16 0.882 (3) 0.829 (3) −0.1901 (18) 0.053 (8)*