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. 2024 Aug 13;80(Pt 9):947–950. doi: 10.1107/S2056989024007515
x y z Uiso*/Ueq
O1 0.57195 (8) 0.63700 (10) 0.27696 (5) 0.0206 (2)
O2 0.75502 (8) 0.62688 (10) 0.28844 (5) 0.0251 (2)
O3 0.11605 (8) 0.87452 (10) 0.19905 (4) 0.0185 (2)
O4 0.13164 (10) 0.90318 (11) 0.10076 (4) 0.0284 (2)
N1 0.27865 (10) 0.66995 (12) 0.44466 (5) 0.0184 (2)
N2 0.22044 (10) 0.74686 (12) 0.53067 (5) 0.0187 (2)
C1 0.35590 (11) 0.83570 (12) 0.38032 (5) 0.0133 (2)
C2 0.45669 (10) 0.79830 (12) 0.36834 (6) 0.0136 (2)
C3 0.47462 (10) 0.83050 (12) 0.30955 (6) 0.0135 (2)
C4 0.39092 (11) 0.89452 (12) 0.26199 (6) 0.0129 (2)
C5 0.28887 (10) 0.92766 (12) 0.27416 (5) 0.0122 (2)
C6 0.27068 (10) 0.89825 (12) 0.33303 (5) 0.0125 (2)
C7 0.33606 (11) 0.80813 (13) 0.44406 (6) 0.0166 (3)
H7A 0.4078 0.8061 0.4762 0.020*
H7B 0.2911 0.8883 0.4545 0.020*
C8 0.23040 (11) 0.63821 (14) 0.49228 (6) 0.0166 (3)
C9 0.16947 (12) 0.71630 (15) 0.57598 (6) 0.0216 (3)
C10 0.12987 (12) 0.58025 (16) 0.58463 (6) 0.0234 (3)
H10 0.0956 0.5637 0.6176 0.028*
C11 0.14056 (11) 0.46587 (15) 0.54437 (6) 0.0205 (3)
C12 0.19076 (11) 0.49616 (14) 0.49736 (6) 0.0186 (3)
H12 0.1986 0.4224 0.4687 0.022*
C13 0.15911 (15) 0.84358 (17) 0.61719 (7) 0.0320 (4)
H13A 0.2330 0.8761 0.6403 0.048*
H13B 0.1172 0.8137 0.6468 0.048*
H13C 0.1204 0.9236 0.5912 0.048*
C14 0.09729 (13) 0.31615 (16) 0.55260 (7) 0.0262 (3)
H14A 0.1176 0.2486 0.5232 0.039*
H14B 0.0165 0.3197 0.5445 0.039*
H14C 0.1296 0.2827 0.5955 0.039*
C15 0.54724 (11) 0.72755 (14) 0.41921 (6) 0.0186 (3)
H15A 0.5922 0.6634 0.3996 0.022*
H15B 0.5130 0.6664 0.4459 0.022*
C16 0.62274 (12) 0.84108 (16) 0.46005 (7) 0.0260 (3)
H16A 0.6584 0.9000 0.4340 0.039*
H16B 0.6795 0.7916 0.4925 0.039*
H16C 0.5786 0.9043 0.4798 0.039*
C17 0.58334 (11) 0.78884 (13) 0.29743 (6) 0.0176 (3)
H17A 0.5994 0.8517 0.2645 0.021*
H17B 0.6442 0.7992 0.3360 0.021*
C18 0.66651 (11) 0.56814 (14) 0.27606 (6) 0.0182 (3)
C19 0.64560 (13) 0.41217 (15) 0.25739 (8) 0.0301 (3)
H19A 0.6259 0.4045 0.2116 0.045*
H19B 0.5847 0.3748 0.2732 0.045*
H19C 0.7125 0.3550 0.2751 0.045*
C20 0.41205 (11) 0.93293 (13) 0.19939 (6) 0.0161 (3)
H20A 0.3421 0.9246 0.1661 0.019*
H20B 0.4656 0.8629 0.1899 0.019*
C21 0.45783 (12) 1.08797 (14) 0.19947 (7) 0.0217 (3)
H21A 0.4083 1.1567 0.2125 0.033*
H21B 0.4629 1.1129 0.1573 0.033*
H21C 0.5315 1.0932 0.2287 0.033*
C22 0.19501 (11) 0.99175 (13) 0.22362 (6) 0.0154 (3)
H22A 0.1582 1.0705 0.2412 0.018*
H22B 0.2238 1.0332 0.1897 0.018*
C23 0.09262 (11) 0.84169 (14) 0.13812 (6) 0.0171 (3)
C24 0.01268 (13) 0.71748 (16) 0.12222 (6) 0.0248 (3)
H24A −0.0613 0.7550 0.1019 0.037*
H24B 0.0107 0.6656 0.1606 0.037*
H24C 0.0363 0.6506 0.0937 0.037*
C25 0.16236 (11) 0.93941 (13) 0.34683 (6) 0.0155 (2)
H25A 0.1467 0.8708 0.3780 0.019*
H25B 0.1016 0.9312 0.3080 0.019*
C26 0.16604 (12) 1.09505 (14) 0.37219 (7) 0.0229 (3)
H26A 0.2244 1.1025 0.4114 0.034*
H26B 0.0945 1.1191 0.3800 0.034*
H26C 0.1815 1.1631 0.3415 0.034*
H1 0.3047 (13) 0.5952 (13) 0.4283 (7) 0.022 (4)*