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. 2014 Aug 6;70(Pt 9):o978. doi: 10.1107/S1600536814017693
x y z Uiso*/Ueq
C1 0.2617 (3) 0.54731 (16) −0.00655 (10) 0.0574 (5)
C2 0.2444 (3) 0.53305 (18) −0.06568 (10) 0.0627 (5)
H2 0.2589 0.5966 −0.0896 0.075*
C3 0.2057 (3) 0.42467 (17) −0.08943 (10) 0.0603 (5)
C4 0.1803 (3) 0.33296 (17) −0.05109 (10) 0.0605 (5)
C5 0.1900 (3) 0.35418 (17) 0.00869 (10) 0.0598 (5)
C11 0.3096 (3) 0.66136 (17) 0.02012 (10) 0.0580 (5)
C12 0.2778 (3) 0.6854 (2) 0.07626 (11) 0.0704 (6)
H12 0.2292 0.6283 0.0985 0.085*
C13 0.3173 (4) 0.7936 (2) 0.10002 (12) 0.0806 (7)
H13 0.2941 0.8091 0.1379 0.097*
C14 0.3902 (4) 0.8774 (2) 0.06809 (14) 0.0895 (8)
H14 0.4130 0.9510 0.0835 0.107*
C15 0.4297 (5) 0.8525 (2) 0.01292 (14) 0.1014 (10)
H15 0.4846 0.9085 −0.0083 0.122*
C16 0.3893 (4) 0.74587 (19) −0.01150 (12) 0.0785 (7)
H16 0.4153 0.7305 −0.0491 0.094*
C31 0.1913 (3) 0.41209 (18) −0.15290 (10) 0.0613 (5)
C32 0.0952 (3) 0.49362 (19) −0.18691 (11) 0.0721 (6)
H32 0.0370 0.5533 −0.1692 0.087*
C33 0.0853 (3) 0.4870 (2) −0.24595 (12) 0.0762 (7)
H33 0.0199 0.5413 −0.2680 0.091*
C34 0.1727 (3) 0.3996 (2) −0.27214 (11) 0.0714 (6)
C35 0.2690 (3) 0.3182 (2) −0.23988 (12) 0.0763 (7)
H35 0.3275 0.2592 −0.2579 0.092*
C36 0.2779 (3) 0.3248 (2) −0.18073 (11) 0.0707 (6)
H36 0.3430 0.2698 −0.1590 0.085*
C41 0.1423 (3) 0.21813 (19) −0.07380 (11) 0.0692 (6)
C51 0.1586 (3) 0.26723 (17) 0.05255 (11) 0.0630 (6)
C52 0.2163 (3) 0.27513 (18) 0.11280 (11) 0.0674 (6)
C53 0.3179 (3) 0.3535 (2) 0.14722 (12) 0.0778 (7)
H53 0.3638 0.4198 0.1311 0.093*
C54 0.3493 (4) 0.3314 (3) 0.20519 (13) 0.0965 (9)
H54 0.4174 0.3830 0.2281 0.116*
C55 0.2800 (5) 0.2320 (3) 0.23029 (15) 0.1080 (11)
H55 0.3005 0.2198 0.2697 0.130*
C56 0.1834 (5) 0.1534 (3) 0.19779 (15) 0.1012 (10)
H56 0.1402 0.0867 0.2144 0.121*
C57 0.1506 (4) 0.1750 (2) 0.13923 (13) 0.0793 (8)
C58 0.0637 (3) 0.16548 (19) 0.04622 (12) 0.0762 (7)
H58 0.0101 0.1382 0.0116 0.091*
N1 0.2322 (2) 0.46053 (14) 0.02994 (8) 0.0597 (4)
N2 0.1113 (3) 0.12741 (17) −0.09152 (11) 0.0913 (7)
N3 0.0600 (3) 0.11130 (17) 0.09728 (11) 0.0870 (7)
H3 0.0083 0.0462 0.1027 0.104*
Cl1 0.15880 (11) 0.38830 (8) −0.34663 (3) 0.0995 (3)