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. 2010 Jan 30;66(Pt 2):o468. doi: 10.1107/S1600536810002862
x y z Uiso*/Ueq
N5 0.29919 (19) 0.47148 (7) 0.39305 (7) 0.0366 (3)
N1 −0.0533 (2) 0.39215 (9) 0.75827 (9) 0.0550 (4)
N3 0.4950 (3) 0.53355 (8) 1.21413 (9) 0.0536 (4)
N4 0.3739 (3) 0.70369 (9) 1.04907 (11) 0.0700 (5)
N2 0.0918 (3) 0.22596 (9) 0.91236 (10) 0.0730 (6)
Cl1 −0.08219 (9) 0.19603 (3) 0.25897 (3) 0.06871 (18)
Cl2 −0.40722 (9) 0.30060 (3) 0.19589 (4) 0.0817 (2)
C4 0.1467 (2) 0.41286 (9) 0.93789 (9) 0.0392 (4)
C5 0.1399 (2) 0.48648 (9) 0.92029 (9) 0.0402 (4)
H5 0.0852 0.5004 0.8751 0.048*
C7 0.2918 (2) 0.51917 (9) 1.03746 (9) 0.0368 (4)
C28 0.2600 (2) 0.45003 (9) 0.46162 (9) 0.0366 (4)
C17 0.1152 (3) 0.31440 (9) 0.29677 (9) 0.0433 (4)
H17 0.2095 0.2834 0.3158 0.052*
C12 0.4384 (3) 0.55209 (9) 1.15743 (10) 0.0407 (4)
C20 0.3127 (2) 0.54043 (9) 0.37601 (9) 0.0398 (4)
H20 0.3386 0.5524 0.3294 0.048*
C23 0.2461 (2) 0.50382 (10) 0.51399 (9) 0.0405 (4)
C8 0.2976 (2) 0.44532 (9) 1.05546 (9) 0.0408 (4)
H8 0.3498 0.4315 1.1010 0.049*
C21 0.2898 (2) 0.59540 (9) 0.42521 (10) 0.0432 (4)
C1 0.0043 (3) 0.37834 (9) 0.81630 (10) 0.0427 (4)
C10 0.3650 (2) 0.57206 (9) 1.08701 (9) 0.0386 (4)
C6 0.2107 (2) 0.53737 (9) 0.96747 (9) 0.0386 (4)
H6 0.2059 0.5851 0.9535 0.046*
C16 0.1436 (2) 0.38756 (9) 0.30184 (9) 0.0378 (4)
C27 0.2366 (2) 0.37768 (9) 0.47945 (10) 0.0435 (4)
H27 0.2430 0.3423 0.4446 0.052*
C19 0.3282 (2) 0.41725 (9) 0.33621 (9) 0.0407 (4)
H19A 0.4048 0.3784 0.3575 0.049*
H19B 0.3972 0.4391 0.2992 0.049*
C18 −0.0524 (3) 0.28720 (9) 0.26362 (10) 0.0451 (4)
C14 −0.1659 (3) 0.40587 (10) 0.24047 (10) 0.0497 (5)
H14 −0.2606 0.4368 0.2216 0.060*
C22 0.2612 (2) 0.57597 (10) 0.49425 (10) 0.0453 (4)
H22 0.2514 0.6113 0.5289 0.054*
C11 0.3706 (3) 0.64519 (10) 1.06735 (10) 0.0454 (4)
C9 0.2293 (3) 0.39456 (9) 1.00816 (9) 0.0430 (4)
H9 0.2365 0.3467 1.0218 0.052*
C13 −0.1939 (3) 0.33322 (10) 0.23607 (10) 0.0480 (5)
C2 0.0867 (3) 0.28632 (10) 0.90231 (10) 0.0506 (5)
C3 0.0775 (3) 0.36059 (9) 0.88739 (9) 0.0434 (4)
C24 0.2156 (3) 0.48249 (12) 0.58499 (10) 0.0517 (5)
H24 0.2092 0.5169 0.6207 0.062*
C15 0.0019 (3) 0.43294 (9) 0.27275 (9) 0.0450 (4)
H15 0.0202 0.4821 0.2751 0.054*
C25 0.1956 (3) 0.41215 (12) 0.60159 (10) 0.0554 (5)
H25 0.1759 0.3988 0.6485 0.066*
C26 0.2045 (3) 0.35999 (11) 0.54832 (10) 0.0523 (5)
H26 0.1882 0.3122 0.5601 0.063*
C29 0.2965 (3) 0.67200 (10) 0.40124 (12) 0.0608 (6)
H29A 0.2461 0.7022 0.4366 0.091*
H29B 0.2222 0.6775 0.3558 0.091*
H29C 0.4256 0.6853 0.3961 0.091*