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. 2023 Sep 12;79(Pt 10):899–904. doi: 10.1107/S2056989023007272
x y z Uiso*/Ueq
Cl1 0.01542 (4) 0.11097 (4) 0.64700 (3) 0.02403 (11)
F1 0.56045 (14) −0.35098 (11) 1.02878 (8) 0.0367 (2)
O18 0.90723 (15) 0.80467 (12) 0.61002 (9) 0.0241 (2)
N4 0.37156 (15) 0.27422 (14) 0.62115 (9) 0.0190 (2)
N1 0.14182 (17) 0.49767 (15) 0.65794 (10) 0.0215 (2)
C8A 0.26290 (18) 0.42655 (16) 0.57537 (11) 0.0196 (3)
C11 0.37885 (19) 0.08741 (17) 0.81151 (11) 0.0210 (3)
C5 0.51012 (19) 0.17210 (16) 0.55569 (12) 0.0214 (3)
H5 0.586532 0.067821 0.587952 0.026*
C12 0.5714 (2) 0.03302 (17) 0.81846 (11) 0.0233 (3)
H12 0.660070 0.098082 0.773040 0.028*
C3 0.30886 (19) 0.24618 (17) 0.73582 (11) 0.0208 (3)
C7 0.4192 (2) 0.37812 (17) 0.39448 (11) 0.0228 (3)
C2 0.16899 (19) 0.38788 (17) 0.75689 (11) 0.0217 (3)
C8 0.28524 (19) 0.48118 (17) 0.46032 (11) 0.0215 (3)
H8 0.209704 0.586666 0.428855 0.026*
C14 0.5015 (2) −0.20644 (18) 0.95627 (12) 0.0267 (3)
C16 0.2482 (2) −0.00887 (19) 0.87709 (12) 0.0271 (3)
H16 0.117247 0.027457 0.871462 0.032*
C6 0.5351 (2) 0.22342 (17) 0.44449 (12) 0.0232 (3)
H6 0.631903 0.154967 0.398747 0.028*
C13 0.6343 (2) −0.11584 (18) 0.89146 (12) 0.0256 (3)
H13 0.765513 −0.154250 0.896619 0.031*
C17 0.4406 (2) 0.4222 (2) 0.27152 (12) 0.0295 (3)
H17A 0.374708 0.355153 0.250243 0.044*
H17B 0.577414 0.396555 0.235805 0.044*
H17C 0.383705 0.543651 0.248116 0.044*
C15 0.3103 (2) −0.1578 (2) 0.95051 (12) 0.0303 (3)
H15 0.223073 −0.224471 0.995677 0.036*
C9 0.0719 (2) 0.4320 (2) 0.86403 (12) 0.0305 (3)
H9 0.092957 0.349329 0.929217 0.037*
H18A 0.937 (3) 0.887 (3) 0.6243 (19) 0.046 (6)*
H18B 0.926 (3) 0.830 (3) 0.538 (2) 0.045 (6)*
H1 0.059 (3) 0.602 (3) 0.6466 (17) 0.042 (5)*
O10 −0.0336 (2) 0.56891 (18) 0.87279 (11) 0.0572 (4)