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. 2021 Aug 24;77(Pt 9):958–964. doi: 10.1107/S2056989021008562
x y z Uiso*/Ueq
O1 0.29400 (14) 0.3937 (2) 0.2999 (6) 0.0362 (7)
O2 0.22855 (16) 0.2512 (2) 0.7000 (6) 0.0343 (7)
N1 0.10762 (18) 0.4562 (3) −0.0277 (7) 0.0301 (7)
N2 0.16131 (17) 0.3339 (2) 0.3528 (7) 0.0299 (7)
N3 0.01890 (19) 0.2587 (3) 0.5153 (7) 0.0335 (8)
C1 0.1883 (2) 0.4642 (3) 0.0217 (8) 0.0288 (8)
C2 0.2393 (2) 0.5328 (3) −0.1112 (8) 0.0322 (8)
H2A 0.296091 0.536690 −0.068626 0.039*
C3 0.2060 (2) 0.5956 (3) −0.3071 (9) 0.0372 (9)
H3 0.239464 0.643907 −0.401515 0.045*
C4 0.1232 (2) 0.5872 (3) −0.3640 (9) 0.0372 (9)
H4 0.098806 0.628601 −0.500275 0.045*
C5 0.0767 (2) 0.5170 (3) −0.2176 (8) 0.0344 (8)
H5 0.019566 0.512061 −0.255151 0.041*
C6 0.2213 (2) 0.3943 (3) 0.2372 (8) 0.0279 (8)
C7 0.1662 (2) 0.2696 (3) 0.5753 (8) 0.0284 (8)
C8 0.0840 (2) 0.2245 (3) 0.6517 (8) 0.0290 (8)
C9 −0.0551 (2) 0.2220 (3) 0.5853 (10) 0.0361 (9)
H9 −0.101987 0.245492 0.489110 0.043*
C10 −0.0664 (2) 0.1513 (3) 0.7923 (9) 0.0371 (9)
H10 −0.119977 0.127904 0.838484 0.045*
C11 0.0010 (3) 0.1157 (4) 0.9290 (9) 0.0410 (10)
H11 −0.004963 0.066767 1.070577 0.049*
C12 0.0785 (2) 0.1526 (3) 0.8565 (9) 0.0368 (9)
H12 0.126414 0.128826 0.946242 0.044*
H2 0.110 (3) 0.341 (4) 0.286 (12) 0.044*