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. 2022 Jun 10;78(Pt 7):703–708. doi: 10.1107/S2056989022005710
x y z Uiso*/Ueq
O1 0.65863 (16) 0.55415 (6) 0.82793 (16) 0.0252 (3)
O2 0.18140 (16) 0.55228 (6) 1.16490 (15) 0.0203 (3)
O3 0.44673 (16) 0.68686 (5) 0.90343 (16) 0.0217 (3)
O4 0.37570 (18) 0.77723 (6) 0.93929 (18) 0.0306 (3)
O5 0.03664 (16) 0.70944 (5) 1.19895 (16) 0.0226 (3)
N1 0.08101 (19) 0.65146 (6) 1.19429 (19) 0.0212 (3)
C1 0.0870 (2) 0.57205 (7) 0.8333 (2) 0.0203 (4)
H1 −0.001664 0.578626 0.890399 0.024*
C2 0.0569 (2) 0.55858 (8) 0.6759 (2) 0.0228 (4)
H2A −0.052182 0.555788 0.625751 0.027*
C3 0.1853 (2) 0.54909 (8) 0.5906 (2) 0.0240 (4)
H3 0.164699 0.541177 0.481704 0.029*
C4 0.3430 (2) 0.55131 (7) 0.6659 (2) 0.0218 (4)
H4 0.431105 0.543796 0.608819 0.026*
C5 0.7367 (2) 0.57793 (8) 1.1470 (2) 0.0220 (4)
H5 0.823547 0.568479 1.090262 0.026*
C6 0.7694 (2) 0.59175 (8) 1.3033 (2) 0.0247 (4)
H6 0.878586 0.592110 1.353877 0.030*
C7 0.6426 (2) 0.60514 (8) 1.3866 (2) 0.0243 (4)
H7 0.665219 0.614443 1.494505 0.029*
C8 0.4833 (2) 0.60507 (8) 1.3136 (2) 0.0205 (4)
H8 0.397213 0.614388 1.371534 0.025*
C9 0.2716 (2) 0.59122 (7) 1.0817 (2) 0.0165 (3)
C10 0.5456 (2) 0.56479 (7) 0.9026 (2) 0.0189 (4)
C11 0.5762 (2) 0.57770 (7) 1.0712 (2) 0.0183 (4)
C12 0.4490 (2) 0.59136 (7) 1.1556 (2) 0.0172 (4)
C13 0.2460 (2) 0.57606 (7) 0.9088 (2) 0.0172 (4)
C14 0.3747 (2) 0.56448 (7) 0.8250 (2) 0.0182 (4)
C15 0.1976 (2) 0.64929 (7) 1.1067 (2) 0.0170 (4)
C16 0.2349 (2) 0.70473 (7) 1.0516 (2) 0.0181 (4)
C17 0.1296 (2) 0.73971 (8) 1.1146 (2) 0.0199 (4)
C18 0.0996 (2) 0.80170 (8) 1.1084 (2) 0.0253 (4)
H18A 0.008645 0.810745 1.165995 0.038*
H18B 0.072691 0.813653 0.999147 0.038*
H18C 0.197593 0.821674 1.156078 0.038*
C19 0.3576 (2) 0.72714 (8) 0.9602 (2) 0.0194 (4)
C20 0.5726 (2) 0.70681 (9) 0.8136 (2) 0.0263 (4)
H20A 0.534468 0.741549 0.755484 0.032*
H20B 0.593554 0.677531 0.736546 0.032*
C21 0.7273 (3) 0.71933 (11) 0.9198 (3) 0.0365 (5)
H21A 0.812088 0.730603 0.856913 0.055*
H21B 0.762503 0.685366 0.980518 0.055*
H21C 0.708331 0.750213 0.991184 0.055*
H2 0.232 (3) 0.5184 (12) 1.162 (3) 0.043 (7)*