Skip to main content
. 2019 Oct 3;75(Pt 11):1590–1594. doi: 10.1107/S2056989019013379
x y z Uiso*/Ueq
O12 0.67375 (11) 0.32986 (16) 0.53007 (4) 0.0374 (4)
O14 0.56063 (13) 0.13497 (17) 0.48138 (5) 0.0433 (4)
N2 0.51402 (15) 0.8855 (2) 0.42476 (5) 0.0347 (4)
N1 0.49999 (14) 0.9151 (2) 0.38046 (5) 0.0384 (4)
O22 0.29208 (18) 0.8202 (3) 0.35137 (6) 0.0677 (5)
O21 0.64259 (19) 1.0090 (3) 0.18438 (6) 0.0803 (7)
C8 0.63357 (15) 0.3973 (2) 0.49290 (6) 0.0287 (4)
C9 0.57465 (16) 0.2905 (2) 0.46661 (6) 0.0306 (4)
C7 0.64750 (15) 0.5586 (2) 0.48084 (6) 0.0298 (4)
H7 0.686502 0.629245 0.498546 0.036*
C6 0.60392 (16) 0.6168 (2) 0.44254 (6) 0.0312 (4)
C11 0.54679 (16) 0.5094 (2) 0.41631 (6) 0.0346 (5)
H11 0.517910 0.546425 0.390526 0.042*
C3 0.61976 (16) 0.7953 (2) 0.43154 (7) 0.0348 (5)
H3 0.660239 0.848056 0.454879 0.042*
C10 0.53234 (17) 0.3472 (2) 0.42823 (6) 0.0354 (5)
H10 0.494061 0.276326 0.410349 0.042*
C5 0.59163 (17) 0.8914 (2) 0.36073 (7) 0.0376 (5)
C15 0.60588 (19) 0.9252 (3) 0.31515 (7) 0.0431 (5)
C4 0.68056 (18) 0.8284 (3) 0.38953 (7) 0.0450 (6)
H4A 0.738080 0.909351 0.393418 0.054*
H4B 0.712858 0.728975 0.378196 0.054*
C13 0.7444 (2) 0.4300 (3) 0.55573 (7) 0.0482 (6)
H13A 0.803642 0.471013 0.538454 0.072*
H13B 0.773932 0.366112 0.578791 0.072*
H13C 0.703076 0.520021 0.567146 0.072*
C16 0.6949 (2) 0.8613 (3) 0.29308 (8) 0.0574 (7)
H16 0.746563 0.798987 0.307775 0.069*
C18 0.6333 (2) 0.9799 (3) 0.22753 (8) 0.0597 (7)
C20 0.5313 (2) 1.0207 (3) 0.29215 (8) 0.0615 (7)
H20 0.471444 1.067128 0.306189 0.074*
C17 0.7088 (2) 0.8877 (3) 0.24971 (8) 0.0654 (8)
H17 0.769099 0.843147 0.235584 0.079*
C19 0.5450 (2) 1.0475 (4) 0.24884 (8) 0.0723 (9)
H19 0.494359 1.111272 0.234017 0.087*
H2 0.4564 (18) 0.832 (3) 0.4332 (7) 0.042 (6)*
H22A 0.317 (3) 0.729 (5) 0.3380 (11) 0.109 (14)*
H22B 0.364 (3) 0.867 (4) 0.3581 (10) 0.106 (12)*
H14 0.533 (2) 0.072 (4) 0.4599 (9) 0.082 (10)*
H21 0.705 (3) 0.949 (5) 0.1719 (12) 0.130 (14)*