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. 2019 Sep 20;75(Pt 10):1494–1506. doi: 10.1107/S2056989019012702
x y z Uiso*/Ueq
N1 0.6215 (3) 0.5723 (4) 0.61103 (8) 0.0465 (7)
H11 0.703 (4) 0.587 (4) 0.5906 (9) 0.056*
H12 0.533 (4) 0.494 (4) 0.6028 (9) 0.056*
C2 0.5349 (4) 0.7433 (4) 0.61776 (9) 0.0531 (9)
H2A 0.4783 0.7826 0.5925 0.064*
H2B 0.6235 0.8292 0.6258 0.064*
C3 0.3982 (4) 0.7294 (4) 0.65055 (9) 0.0489 (8)
H3A 0.3504 0.8446 0.6559 0.059*
H3B 0.3016 0.6558 0.6407 0.059*
N4 0.4712 (3) 0.6567 (3) 0.68854 (7) 0.0399 (6)
C5 0.5669 (4) 0.4924 (4) 0.68187 (9) 0.0483 (8)
H5A 0.4832 0.4024 0.6734 0.058*
H5B 0.6233 0.4554 0.7074 0.058*
C6 0.7057 (4) 0.5118 (4) 0.64972 (8) 0.0505 (8)
H6A 0.7947 0.5955 0.6588 0.061*
H6B 0.7637 0.4003 0.6454 0.061*
C21 0.3501 (4) 0.6515 (4) 0.72152 (9) 0.0382 (7)
C22 0.1878 (4) 0.7370 (4) 0.72002 (10) 0.0510 (8)
H22 0.1538 0.7966 0.6963 0.061*
C23 0.0745 (4) 0.7358 (4) 0.75303 (10) 0.0522 (8)
H23 −0.0327 0.7954 0.7512 0.063*
C24 0.1201 (4) 0.6473 (4) 0.78814 (9) 0.0455 (8)
C25 0.2807 (4) 0.5624 (4) 0.79002 (9) 0.0547 (9)
H25 0.3138 0.5028 0.8138 0.066*
C26 0.3934 (4) 0.5636 (4) 0.75758 (9) 0.0499 (8)
H26 0.5008 0.5044 0.7598 0.060*
O24 0.0184 (3) 0.6354 (3) 0.82246 (6) 0.0640 (7)
C27 −0.1485 (4) 0.7203 (5) 0.82152 (11) 0.0745 (11)
H27A −0.2061 0.7017 0.8470 0.112*
H27B −0.2206 0.6733 0.7996 0.112*
H27C −0.1318 0.8433 0.8173 0.112*
C31 0.8836 (3) 0.6893 (4) 0.46865 (8) 0.0355 (7)
C32 0.8864 (3) 0.7026 (4) 0.51247 (9) 0.0374 (7)
C33 1.0424 (3) 0.7812 (4) 0.52995 (8) 0.0352 (7)
C34 1.1812 (3) 0.8371 (4) 0.50706 (8) 0.0372 (7)
H34 1.2797 0.8892 0.5195 0.045*
C35 1.1728 (3) 0.8150 (4) 0.46526 (9) 0.0368 (7)
C36 1.0252 (3) 0.7425 (4) 0.44590 (9) 0.0383 (7)
H36 1.0217 0.7298 0.4176 0.046*
C37 0.7243 (4) 0.6189 (4) 0.44690 (10) 0.0446 (8)
O31 0.7120 (3) 0.6063 (3) 0.40978 (6) 0.0609 (7)
O32 0.5931 (2) 0.5689 (3) 0.46961 (7) 0.0626 (7)
H32 0.638 (4) 0.590 (5) 0.4996 (12) 0.094*
O33 0.7553 (2) 0.6499 (3) 0.53332 (6) 0.0530 (6)
N33 1.0576 (3) 0.8102 (4) 0.57403 (8) 0.0481 (7)
O34 0.9695 (3) 0.7215 (4) 0.59704 (7) 0.0868 (9)
O35 1.1628 (3) 0.9203 (3) 0.58660 (6) 0.0627 (7)
N35 1.3207 (3) 0.8725 (3) 0.44092 (9) 0.0492 (7)
O36 1.4399 (3) 0.9552 (3) 0.45754 (7) 0.0715 (7)
O37 1.3199 (3) 0.8357 (3) 0.40434 (7) 0.0687 (7)