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. 2024 Mar 26;80(Pt 4):401–407. doi: 10.1107/S2056989024002494
x y z Uiso*/Ueq
C1 0.7621 (3) 0.0311 (2) 0.28917 (15) 0.0254 (4)
C2 0.7226 (3) 0.1072 (2) 0.15528 (14) 0.0264 (4)
H2 0.8399 0.1004 0.1013 0.032*
C3 0.5262 (3) 0.1847 (2) 0.10941 (15) 0.0255 (4)
H3A 0.4138 0.1903 0.1666 0.031*
C4 0.4642 (3) 0.2624 (2) −0.01989 (14) 0.0227 (3)
C5 0.6151 (3) 0.2576 (2) −0.11683 (15) 0.0251 (4)
H5 0.7604 0.2042 −0.0994 0.030*
C6 0.5499 (3) 0.3310 (2) −0.23713 (14) 0.0251 (4)
C7 0.3322 (3) 0.4163 (2) −0.26497 (14) 0.0228 (3)
C8 0.1815 (3) 0.4196 (2) −0.17098 (14) 0.0259 (4)
H8 0.0363 0.4734 −0.1888 0.031*
C9 0.2482 (3) 0.3420 (2) −0.04956 (14) 0.0260 (4)
H9 0.1458 0.3434 0.0134 0.031*
Na 0.44737 (11) 0.27100 (10) 0.47948 (6) 0.0348 (2)
O1 0.95808 (19) −0.0433 (2) 0.32325 (11) 0.0363 (3)
O2 0.60826 (19) 0.04183 (18) 0.36431 (10) 0.0328 (3)
O3 0.6857 (2) 0.3298 (2) −0.33673 (11) 0.0387 (3)
H3 0.800 (3) 0.243 (4) −0.314 (2) 0.070 (8)*
O4 0.2845 (2) 0.48950 (18) −0.38767 (10) 0.0304 (3)
H4 0.164 (3) 0.558 (3) −0.391 (2) 0.053 (7)*
O5 0.0849 (2) 0.2438 (2) 0.43233 (13) 0.0345 (3)
H5A 0.070 (4) 0.163 (3) 0.391 (2) 0.061 (8)*
H5B 0.070 (4) 0.187 (4) 0.5048 (17) 0.059 (7)*