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. 2016 Mar 4;72(Pt 4):436–439. doi: 10.1107/S2056989016003340
x y z Uiso*/Ueq
Cl1 0.05337 (2) 1.08640 (7) 0.66004 (3) 0.02094 (12)
C1 0.14210 (7) 0.6050 (3) 0.62858 (14) 0.0235 (3)
H1 0.1565 (2) 0.7082 (17) 0.7004 (12) 0.028*
C2 0.17821 (6) 0.4124 (3) 0.61830 (13) 0.0206 (3)
H2 0.2164 (7) 0.3837 (6) 0.6800 (11) 0.025*
C3 0.15607 (5) 0.2616 (3) 0.51318 (11) 0.0175 (3)
C4 0.09760 (6) 0.3065 (3) 0.42116 (13) 0.0236 (3)
H4 0.0814 (3) 0.2027 (17) 0.3497 (12) 0.028*
C5 0.06356 (7) 0.5048 (3) 0.43560 (14) 0.0270 (3)
H5 0.0247 (7) 0.5390 (7) 0.3747 (12) 0.032*
C6 0.19697 (6) 0.0497 (3) 0.50687 (12) 0.0173 (3)
N1 0.08665 (6) 0.6468 (2) 0.53714 (12) 0.0228 (3)
H1A 0.0642 (4) 0.775 (2) 0.54449 (16) 0.027*
N2 0.17626 (5) −0.0961 (2) 0.40762 (11) 0.0209 (3)
O1 0.24768 (4) 0.0199 (2) 0.59516 (9) 0.0228 (2)
H2A 0.2004 (8) −0.216 (4) 0.4039 (16) 0.027*
H2B 0.1426 (8) −0.069 (4) 0.3420 (17) 0.027*