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. 2021 Oct 5;77(Pt 11):1067–1071. doi: 10.1107/S2056989021010070
x y z Uiso*/Ueq
F1 0.0932 (5) 0.4231 (2) 0.51007 (19) 0.0563 (9)
F2 0.2755 (6) 0.52826 (18) 0.4634 (2) 0.0575 (10)
F3 0.1757 (5) 0.42585 (19) 0.38129 (17) 0.0456 (8)
F4 0.5987 (6) 0.50612 (18) 0.33789 (17) 0.0565 (9)
F5 0.6160 (6) 0.5157 (2) 0.16979 (18) 0.0609 (10)
F6 0.5614 (6) 0.3674 (3) 0.07762 (16) 0.0612 (10)
F7 0.4985 (6) 0.2089 (2) 0.15264 (18) 0.0566 (9)
F8 0.4847 (5) 0.19857 (17) 0.32018 (16) 0.0456 (8)
O1 0.3633 (7) 0.4664 (2) 0.6435 (2) 0.0496 (10)
N1 0.5368 (7) 0.3474 (2) 0.4207 (2) 0.0351 (10)
N2 0.6809 (7) 0.2985 (3) 0.4582 (2) 0.0418 (11)
N3 0.6565 (8) 0.3072 (3) 0.5387 (2) 0.0410 (10)
C1 0.5367 (8) 0.3525 (3) 0.3316 (3) 0.0339 (11)
C2 0.5726 (8) 0.4330 (3) 0.2930 (3) 0.0396 (12)
C3 0.5793 (9) 0.4382 (4) 0.2066 (3) 0.0451 (13)
C4 0.5531 (9) 0.3623 (4) 0.1611 (3) 0.0430 (13)
C5 0.5215 (9) 0.2822 (3) 0.1983 (3) 0.0405 (12)
C6 0.5130 (8) 0.2771 (3) 0.2847 (3) 0.0357 (11)
C7 0.4210 (8) 0.3878 (3) 0.4781 (3) 0.0319 (11)
C8 0.4981 (8) 0.3615 (3) 0.5531 (3) 0.0337 (11)
C9 0.4375 (9) 0.3934 (3) 0.6379 (3) 0.0385 (13)
C10 0.4732 (8) 0.3363 (3) 0.7117 (3) 0.0345 (11)
C11 0.5049 (8) 0.2451 (3) 0.7063 (3) 0.0340 (10)
H11 0.509418 0.217046 0.653465 0.041*
C12 0.5297 (8) 0.1955 (3) 0.7776 (3) 0.0360 (11)
H12 0.549256 0.133197 0.773331 0.043*
C13 0.5267 (8) 0.2352 (3) 0.8560 (3) 0.0374 (12)
C14 0.4964 (10) 0.3264 (3) 0.8609 (3) 0.0454 (14)
H14 0.494442 0.354584 0.913774 0.054*
C15 0.4693 (9) 0.3765 (3) 0.7897 (3) 0.0438 (14)
H15 0.447771 0.438645 0.794080 0.053*
C16 0.5547 (10) 0.1808 (3) 0.9339 (3) 0.0493 (16)
H16A 0.562191 0.117776 0.919256 0.074*
H16B 0.442677 0.190607 0.971434 0.074*
H16C 0.677506 0.198827 0.961531 0.074*
C17 0.2417 (9) 0.4415 (3) 0.4588 (3) 0.0405 (12)