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. 2015 Jul 17;71(Pt 8):o584–o585. doi: 10.1107/S2056989015013389
x y z Uiso*/Ueq
O1 0.77038 (18) 0.68499 (17) 0.70064 (14) 0.0556 (5)
H1 0.7330 0.7465 0.6948 0.083*
N1 0.5009 (2) 0.61324 (19) 0.69466 (13) 0.0457 (5)
H1A 0.5313 0.6659 0.6574 0.055*
C1 0.9322 (3) 0.5422 (3) 0.78250 (18) 0.0595 (7)
H1B 0.9576 0.5879 0.7375 0.071*
C2 1.0177 (3) 0.4718 (4) 0.8223 (2) 0.0707 (9)
H2 1.0999 0.4689 0.8032 0.085*
C3 0.9826 (4) 0.4061 (3) 0.8895 (2) 0.0759 (10)
H3 1.0408 0.3587 0.9161 0.091*
C4 0.8608 (4) 0.4099 (3) 0.9180 (2) 0.0692 (9)
H4 0.8373 0.3655 0.9641 0.083*
C5 0.7729 (3) 0.4797 (3) 0.87827 (17) 0.0582 (7)
H5 0.6909 0.4824 0.8978 0.070*
C6 0.8084 (3) 0.5455 (2) 0.80910 (16) 0.0471 (6)
C7 0.7116 (2) 0.6191 (2) 0.76352 (15) 0.0446 (5)
H7 0.6722 0.6716 0.8040 0.054*
C8 0.6092 (2) 0.5410 (2) 0.72422 (15) 0.0449 (5)
H8 0.5789 0.4877 0.7676 0.054*
C9 0.6609 (3) 0.4695 (3) 0.65138 (18) 0.0575 (7)
H9A 0.5995 0.4135 0.6343 0.086*
H9B 0.7357 0.4303 0.6690 0.086*
H9C 0.6799 0.5197 0.6051 0.086*
C10 0.4349 (3) 0.6792 (3) 0.76326 (19) 0.0570 (7)
H10A 0.4749 0.7535 0.7723 0.068*
H10B 0.4369 0.6359 0.8154 0.068*
C11 0.3014 (3) 0.6954 (4) 0.7337 (3) 0.0786 (10)
H11A 0.2431 0.6675 0.7759 0.094*
H11B 0.2844 0.7767 0.7236 0.094*
C12 0.2876 (3) 0.6270 (4) 0.6535 (3) 0.0823 (11)
H12A 0.2878 0.6780 0.6052 0.099*
H12B 0.2099 0.5834 0.6538 0.099*
C13 0.3990 (3) 0.5462 (3) 0.6511 (2) 0.0619 (8)
H13A 0.3810 0.4746 0.6805 0.074*
H13B 0.4224 0.5283 0.5936 0.074*
Cl1 0.32906 (11) 0.26127 (9) 0.50325 (8) 0.0991 (4)
O2 0.0402 (2) 0.72036 (18) 0.41891 (13) 0.0626 (6)
O3 0.1584 (2) 0.61558 (18) 0.33345 (12) 0.0613 (5)
N2 −0.0763 (2) 0.6051 (2) 0.54289 (16) 0.0574 (6)
H2A −0.0982 0.6071 0.5956 0.069*
H2B −0.0522 0.6745 0.5286 0.069*
C14 0.2067 (3) 0.3611 (2) 0.51305 (19) 0.0573 (7)
C15 0.1973 (3) 0.4508 (2) 0.45717 (17) 0.0504 (6)
H15 0.2547 0.4565 0.4134 0.060*
C16 0.1037 (2) 0.5333 (2) 0.46472 (15) 0.0425 (5)
C17 0.0182 (2) 0.5255 (2) 0.53195 (15) 0.0430 (5)
C18 0.0277 (3) 0.4295 (3) 0.58599 (18) 0.0540 (6)
H18 −0.0307 0.4206 0.6288 0.065*
C19 0.1203 (3) 0.3492 (3) 0.5773 (2) 0.0611 (7)
H19 0.1254 0.2869 0.6142 0.073*
C20 0.0996 (2) 0.6300 (2) 0.40106 (15) 0.0458 (5)