Skip to main content
. 2022 Apr 12;7(Pt 4):x220380. doi: 10.1107/S2414314622003807
x y z Uiso*/Ueq
I1 0.49323 (2) 0.32275 (2) 0.93280 (2) 0.02074 (5)
F1 0.21264 (18) 0.11841 (13) 0.85256 (11) 0.0253 (4)
N1 0.6063 (3) 0.52854 (19) 0.84397 (16) 0.0228 (5)
C1 0.5221 (3) 0.5211 (2) 0.75898 (19) 0.0203 (6)
H1 0.442392 0.455214 0.742023 0.024*
I2 0.02348 (2) −0.12845 (2) 0.89212 (2) 0.01983 (5)
F2 0.23180 (18) −0.14839 (13) 1.08815 (11) 0.0245 (3)
N2 0.7521 (3) 0.70747 (19) 0.80721 (16) 0.0228 (5)
C2 0.7169 (3) 0.6221 (2) 0.8639 (2) 0.0215 (6)
H2 0.776741 0.628608 0.924803 0.026*
I3 1.23452 (2) 0.97142 (2) 0.34507 (2) 0.02347 (5)
F3 0.47643 (17) −0.00515 (14) 1.18660 (11) 0.0240 (3)
N3 −0.0078 (3) 0.5104 (2) 0.17456 (18) 0.0288 (6)
C3 0.6668 (3) 0.6985 (2) 0.7221 (2) 0.0229 (6)
H3 0.689419 0.757418 0.679287 0.027*
I4 0.70571 (2) 1.18190 (2) 0.39166 (2) 0.01903 (5)
F4 0.58522 (17) 0.20184 (14) 1.12306 (11) 0.0256 (4)
C4 0.5460 (3) 0.6057 (2) 0.69404 (19) 0.0176 (5)
F5 1.03550 (16) 1.15246 (12) 0.36927 (11) 0.0219 (3)
C5 0.4513 (3) 0.5954 (2) 0.6039 (2) 0.0203 (6)
F6 0.56017 (17) 0.91354 (14) 0.39466 (14) 0.0306 (4)
C6 0.3687 (3) 0.5801 (2) 0.5296 (2) 0.0199 (5)
F7 0.67827 (19) 0.72914 (14) 0.38368 (16) 0.0402 (5)
C7 0.2714 (3) 0.5631 (2) 0.44040 (19) 0.0192 (5)
F8 0.97066 (19) 0.75248 (14) 0.36268 (14) 0.0338 (4)
C8 0.2961 (3) 0.6402 (2) 0.36941 (19) 0.0200 (5)
H8 0.378242 0.705295 0.381043 0.024*
C9 0.2039 (3) 0.6246 (2) 0.2823 (2) 0.0203 (6)
H9 0.223836 0.678728 0.235226 0.024*
C10 0.0812 (3) 0.5295 (2) 0.2628 (2) 0.0202 (5)
C11 0.0557 (3) 0.4526 (2) 0.3355 (2) 0.0236 (6)
H11 −0.027198 0.387958 0.324617 0.028*
C12 0.1480 (3) 0.4689 (2) 0.4219 (2) 0.0239 (6)
H12 0.127870 0.415619 0.469581 0.029*
C13 0.0052 (4) 0.6021 (3) 0.1095 (2) 0.0473 (10)
H13A −0.025722 0.666905 0.138573 0.071*
H13B −0.060174 0.575019 0.048978 0.071*
H13C 0.110369 0.626297 0.097130 0.071*
C14 −0.1542 (3) 0.4298 (3) 0.1657 (3) 0.0378 (8)
H14A −0.139652 0.353862 0.180913 0.057*
H14B −0.204986 0.426549 0.099927 0.057*
H14C −0.216383 0.454809 0.210428 0.057*
C15 0.4006 (3) 0.1649 (2) 0.98576 (19) 0.0193 (5)
C16 0.2772 (3) 0.0880 (2) 0.93589 (18) 0.0179 (5)
C17 0.2162 (3) −0.0179 (2) 0.96755 (18) 0.0174 (5)
C18 0.2848 (3) −0.0463 (2) 1.05331 (19) 0.0186 (5)
C19 0.4083 (3) 0.0263 (2) 1.10472 (18) 0.0176 (5)
C20 0.4647 (3) 0.1320 (2) 1.07115 (19) 0.0188 (5)
C21 1.0096 (3) 0.9535 (2) 0.36423 (18) 0.0171 (5)
C22 0.9461 (3) 1.0476 (2) 0.37107 (18) 0.0162 (5)
C23 0.7959 (3) 1.0382 (2) 0.38056 (18) 0.0167 (5)
C24 0.7064 (3) 0.9287 (2) 0.3845 (2) 0.0201 (6)
C25 0.7661 (3) 0.8338 (2) 0.3796 (2) 0.0246 (6)
C26 0.9165 (3) 0.8463 (2) 0.3691 (2) 0.0207 (6)