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. 2022 Jun 7;78(Pt 7):691–694. doi: 10.1107/S2056989022005382
x y z Uiso*/Ueq
O1 0.38204 (5) 0.42787 (12) 0.14622 (11) 0.0346 (3)
N1 0.500000 0.50356 (17) 0.250000 0.0275 (4)
C1 0.500000 0.65552 (19) 0.250000 0.0258 (4)
C2 0.54585 (7) 0.73540 (15) 0.16825 (14) 0.0312 (3)
H2 0.577660 0.684521 0.112882 0.037*
C3 0.54488 (9) 0.88824 (18) 0.16798 (17) 0.0432 (4)
H3 0.575533 0.940593 0.110555 0.052*
C4 0.500000 0.9651 (2) 0.250000 0.0537 (7)
H4 0.499999 1.069489 0.250000 0.064*
C5 0.45804 (6) 0.41853 (14) 0.34384 (14) 0.0256 (3)
H5A 0.447899 0.476190 0.433961 0.031*
H5B 0.480651 0.328071 0.375413 0.031*
C6 0.39556 (6) 0.37610 (14) 0.26663 (14) 0.0262 (3)
C7 0.35248 (6) 0.26878 (14) 0.34230 (13) 0.0256 (3)
C8 0.36541 (6) 0.21454 (15) 0.48403 (15) 0.0304 (3)
H8 0.402012 0.248116 0.537005 0.036*
C9 0.32461 (7) 0.11135 (17) 0.54737 (16) 0.0362 (4)
H9 0.333629 0.073789 0.643461 0.043*
C10 0.27080 (7) 0.06284 (17) 0.47116 (17) 0.0362 (4)
H10 0.243425 −0.008843 0.514406 0.043*
C11 0.25697 (7) 0.11905 (17) 0.33172 (16) 0.0353 (4)
H11 0.219476 0.087802 0.280639 0.042*
C12 0.29775 (7) 0.22064 (15) 0.26696 (16) 0.0316 (3)
H12 0.288486 0.257788 0.170838 0.038*