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. 2020 Jan 14;76(Pt 2):192–196. doi: 10.1107/S2056989020000055
x y z Uiso*/Ueq
O1 0.14655 (11) 0.50117 (6) 0.61894 (10) 0.0224 (3)
O2 0.44626 (12) 0.53397 (6) 0.81027 (11) 0.0249 (3)
N1 0.03170 (13) 0.66755 (7) 0.47517 (13) 0.0215 (3)
N2 0.26664 (14) 0.68759 (7) 0.76527 (14) 0.0236 (3)
C1 0.14015 (15) 0.55793 (8) 0.56522 (14) 0.0167 (3)
C2 0.23152 (15) 0.57818 (8) 0.51555 (15) 0.0168 (3)
H2 0.1954 0.6114 0.4396 0.020*
C3 0.30105 (15) 0.51652 (8) 0.48769 (15) 0.0173 (3)
H3 0.3031 0.4743 0.5421 0.021*
C4 0.25950 (16) 0.49385 (8) 0.35333 (15) 0.0188 (3)
C5 0.22108 (16) 0.47470 (8) 0.24269 (16) 0.0202 (4)
C6 0.38544 (15) 0.58614 (8) 0.75844 (15) 0.0177 (3)
C7 0.35663 (15) 0.60721 (8) 0.62014 (15) 0.0175 (3)
H7 0.3676 0.6595 0.6106 0.021*
C8 0.42148 (16) 0.55980 (8) 0.55808 (15) 0.0179 (3)
H8 0.4875 0.5304 0.6245 0.021*
C9 0.46337 (16) 0.59998 (8) 0.47593 (15) 0.0198 (3)
C10 0.50391 (16) 0.63388 (8) 0.41551 (15) 0.0200 (4)
C11 0.04630 (15) 0.61189 (8) 0.55421 (15) 0.0171 (3)
C12 −0.01798 (17) 0.60341 (8) 0.62740 (17) 0.0241 (4)
H12 −0.0064 0.5624 0.6805 0.029*
C13 −0.09935 (18) 0.65600 (9) 0.62137 (19) 0.0303 (4)
H13 −0.1441 0.6521 0.6711 0.036*
C14 −0.11435 (18) 0.71411 (9) 0.54191 (18) 0.0302 (4)
H14 −0.1687 0.7514 0.5367 0.036*
C15 −0.04852 (17) 0.71700 (9) 0.46982 (17) 0.0270 (4)
H15 −0.0612 0.7565 0.4132 0.032*
C16 0.17317 (16) 0.45234 (8) 0.10882 (15) 0.0208 (4)
C17 0.06057 (18) 0.42003 (8) 0.04773 (17) 0.0282 (4)
H17 0.0149 0.4108 0.0952 0.034*
C18 0.0143 (2) 0.40106 (9) −0.08242 (17) 0.0364 (5)
H18 −0.0629 0.3789 −0.1238 0.044*
C19 0.0804 (2) 0.41430 (10) −0.15217 (18) 0.0406 (6)
H19 0.0486 0.4013 −0.2413 0.049*
C20 0.1925 (2) 0.44636 (10) −0.09211 (18) 0.0370 (5)
H20 0.2375 0.4558 −0.1402 0.044*
C21 0.23975 (19) 0.46490 (9) 0.03804 (16) 0.0274 (4)
H21 0.3177 0.4862 0.0794 0.033*
C22 0.33415 (15) 0.63164 (8) 0.83025 (15) 0.0187 (3)
C23 0.35862 (17) 0.61505 (9) 0.95735 (16) 0.0244 (4)
H23 0.4081 0.5753 1.0000 0.029*
C24 0.30935 (18) 0.65777 (10) 1.02106 (18) 0.0313 (4)
H24 0.3238 0.6477 1.1081 0.038*
C25 0.23927 (18) 0.71490 (9) 0.95603 (18) 0.0309 (4)
H25 0.2044 0.7452 0.9972 0.037*
C26 0.22022 (18) 0.72774 (9) 0.82891 (18) 0.0290 (4)
H26 0.1713 0.7674 0.7847 0.035*
C27 0.55587 (15) 0.67731 (8) 0.34887 (15) 0.0187 (3)
C28 0.56084 (16) 0.75148 (8) 0.36530 (16) 0.0224 (4)
H28 0.5309 0.7727 0.4210 0.027*
C29 0.60909 (17) 0.79383 (9) 0.30078 (18) 0.0279 (4)
H29 0.6126 0.8442 0.3126 0.033*
C30 0.65229 (18) 0.76346 (9) 0.21905 (18) 0.0292 (4)
H30 0.6837 0.7930 0.1733 0.035*
C31 0.64973 (18) 0.69037 (9) 0.20388 (17) 0.0289 (4)
H31 0.6810 0.6696 0.1490 0.035*
C32 0.60178 (17) 0.64693 (8) 0.26814 (16) 0.0227 (4)
H32 0.6002 0.5966 0.2572 0.027*