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. 2021 Feb 5;77(Pt 3):226–232. doi: 10.1107/S2056989021001183
x y z Uiso*/Ueq
N1 0.38131 (16) 0.67573 (14) 0.32881 (9) 0.0587 (4)
C1 0.5388 (2) 0.6967 (2) 0.54905 (12) 0.0651 (5)
H1A 0.522689 0.649842 0.601246 0.078*
H1B 0.631139 0.684239 0.533165 0.078*
C2 0.5154 (2) 0.8351 (2) 0.56596 (13) 0.0698 (5)
H2A 0.425363 0.847263 0.586694 0.084*
H2B 0.576286 0.863906 0.609906 0.084*
C3 0.53583 (17) 0.91189 (18) 0.48576 (13) 0.0620 (4)
H3 0.628642 0.900743 0.468121 0.074*
C4 0.44845 (17) 0.86058 (16) 0.41413 (12) 0.0566 (4)
H4A 0.466096 0.907853 0.362330 0.068*
H4B 0.355835 0.873562 0.429161 0.068*
C5 0.47082 (15) 0.72069 (16) 0.39624 (10) 0.0508 (4)
H5 0.562872 0.708887 0.377202 0.061*
C6 0.44943 (15) 0.64426 (16) 0.47810 (9) 0.0484 (4)
H6 0.357383 0.659273 0.496077 0.058*
C7 0.34579 (16) 0.54953 (16) 0.32338 (9) 0.0517 (4)
C8 0.38003 (15) 0.46188 (15) 0.38711 (9) 0.0492 (4)
C9 0.46345 (16) 0.50046 (17) 0.46439 (9) 0.0513 (4)
C10 0.27175 (19) 0.50620 (18) 0.25324 (11) 0.0621 (4)
H10 0.246012 0.563166 0.211266 0.075*
C11 0.23606 (19) 0.38138 (19) 0.24481 (12) 0.0648 (5)
H11 0.188546 0.355866 0.196845 0.078*
C12 0.26960 (18) 0.29373 (18) 0.30627 (12) 0.0620 (4)
C13 0.34035 (17) 0.33742 (17) 0.37640 (11) 0.0579 (4)
H13 0.362622 0.279976 0.418889 0.069*
C14 0.5139 (2) 1.0515 (2) 0.49995 (16) 0.0780 (6)
H14A 0.423655 1.065695 0.517634 0.117*
H14B 0.530617 1.096137 0.447712 0.117*
H14C 0.573460 1.081061 0.543498 0.117*
C15 0.2335 (3) 0.1564 (2) 0.29657 (17) 0.0872 (7)
H15A 0.222116 0.119406 0.352062 0.131*
H15B 0.303458 0.113374 0.266677 0.131*
H15C 0.152176 0.149164 0.264824 0.131*
C16 0.60856 (18) 0.4612 (2) 0.44781 (13) 0.0689 (5)
H16A 0.662066 0.482466 0.496540 0.103*
H16B 0.641587 0.504656 0.398371 0.103*
H16C 0.612541 0.372124 0.438170 0.103*
C17 0.4133 (2) 0.43261 (19) 0.54534 (11) 0.0659 (5)
H17A 0.463342 0.460816 0.593947 0.099*
H17B 0.424506 0.343467 0.538626 0.099*
H17C 0.320781 0.451316 0.553822 0.099*
C18 0.37514 (19) 0.74991 (18) 0.24998 (11) 0.0614 (4)
H18A 0.400066 0.696834 0.202166 0.074*
H18B 0.439266 0.817919 0.253479 0.074*
C19 0.2427 (2) 0.80308 (18) 0.23385 (11) 0.0646 (5)
C20 0.1372 (3) 0.8443 (2) 0.21983 (15) 0.0835 (6)
H20 0.053201 0.877163 0.208666 0.100*