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. 2017 Jan 27;73(Pt 2):254–259. doi: 10.1107/S2056989017001177
x y z Uiso*/Ueq
O1 0.67236 (15) −0.08852 (7) 0.29527 (11) 0.0320 (3)
O2 0.66323 (13) −0.10194 (6) 0.51291 (11) 0.0242 (3)
O3 0.8949 (2) 0.18072 (8) 0.77978 (13) 0.0489 (4)
O4 1.00887 (15) 0.25558 (7) 0.64857 (12) 0.0325 (3)
N1 0.84828 (15) 0.07104 (8) 0.37170 (12) 0.0192 (3)
N2 0.93141 (17) 0.19300 (8) 0.67172 (14) 0.0261 (3)
C1 0.77664 (17) 0.01969 (9) 0.45352 (15) 0.0190 (3)
C2 0.79676 (18) 0.05720 (9) 0.57710 (15) 0.0204 (3)
H2 0.7608 0.0365 0.6530 0.024*
C3 0.88142 (18) 0.13247 (9) 0.56798 (15) 0.0203 (3)
C4 0.91140 (18) 0.13959 (9) 0.44135 (15) 0.0201 (3)
H4 0.9667 0.1848 0.4091 0.024*
C5 0.69928 (18) −0.06124 (9) 0.40866 (15) 0.0210 (3)
C6 0.5915 (2) −0.18454 (9) 0.48267 (17) 0.0276 (4)
H6A 0.6748 −0.2201 0.4501 0.033*
H6B 0.4800 −0.1822 0.4117 0.033*
C7 0.5610 (2) −0.21857 (11) 0.61188 (19) 0.0391 (5)
H7A 0.6723 −0.2205 0.6811 0.059*
H7B 0.5123 −0.2746 0.5959 0.059*
H7C 0.4785 −0.1828 0.6430 0.059*
C8 0.86099 (19) 0.05609 (10) 0.23232 (15) 0.0222 (3)
H8A 0.8812 −0.0037 0.2205 0.027*
H8B 0.9626 0.0869 0.2164 0.027*
C9 0.69648 (19) 0.08289 (10) 0.12910 (15) 0.0237 (3)
H9A 0.6743 0.1423 0.1423 0.028*
H9B 0.5953 0.0509 0.1431 0.028*
C10 0.7135 (2) 0.06919 (10) −0.01578 (16) 0.0285 (4)
H10A 0.6022 0.0852 −0.0801 0.034*
H10B 0.8069 0.1057 −0.0323 0.034*
C11 0.75444 (19) −0.01676 (11) −0.04200 (16) 0.0285 (4)
C12 0.7889 (2) −0.08626 (12) −0.0585 (2) 0.0377 (4)
H12 0.8167 −0.1424 −0.0718 0.045*