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. 2008 Dec 24;65(Pt 1):o208–o209. doi: 10.1107/S1600536808043250
x y z Uiso*/Ueq
Br1 0.75295 (3) 0.93707 (4) 0.51515 (3) 0.06917 (15)
N1 0.8315 (2) 0.5830 (2) 0.57685 (15) 0.0384 (5)
N2 1.0326 (2) 0.7189 (2) 0.62364 (16) 0.0407 (5)
C1 0.9118 (3) 0.7064 (3) 0.5843 (2) 0.0439 (6)
H1 0.8858 0.7766 0.5640 0.053*
C2 1.0322 (2) 0.5974 (2) 0.64403 (18) 0.0363 (5)
C3 1.1313 (3) 0.5558 (3) 0.6834 (2) 0.0497 (7)
H3 1.2196 0.6159 0.7050 0.060*
C4 1.0966 (3) 0.4233 (3) 0.6901 (2) 0.0609 (8)
H4 1.1626 0.3902 0.7168 0.073*
C5 0.9681 (3) 0.3364 (3) 0.6591 (2) 0.0573 (7)
H5 0.9483 0.2449 0.6650 0.069*
C6 0.8695 (3) 0.3772 (3) 0.6207 (2) 0.0449 (6)
H6 0.7811 0.3170 0.5997 0.054*
C7 0.9039 (2) 0.5104 (2) 0.61354 (18) 0.0351 (5)
C8 0.6876 (2) 0.5379 (3) 0.5428 (2) 0.0454 (6)
H8A 0.6617 0.4377 0.5084 0.054*
H8B 0.6699 0.5814 0.4955 0.054*
C9 0.6061 (2) 0.5776 (3) 0.6319 (2) 0.0438 (6)
C10 0.5443 (3) 0.4785 (3) 0.6729 (2) 0.0456 (6)
H10 0.5523 0.3835 0.6449 0.055*
C11 0.4705 (3) 0.5178 (3) 0.7550 (2) 0.0521 (7)
C12 0.4583 (3) 0.6547 (3) 0.7952 (2) 0.0537 (7)
C13 0.5222 (3) 0.7534 (3) 0.7543 (2) 0.0553 (7)
C14 0.5963 (3) 0.7155 (3) 0.6720 (2) 0.0508 (7)
H14 0.6399 0.7839 0.6435 0.061*
C15 0.4234 (4) 0.2906 (4) 0.7695 (3) 0.0873 (12)
H15A 0.3873 0.2414 0.6998 0.131*
H15B 0.3783 0.2416 0.8112 0.131*
H15C 0.5166 0.2951 0.7756 0.131*
C16 0.4304 (4) 0.7401 (6) 0.9699 (3) 0.1083 (17)
H16A 0.4738 0.6735 0.9805 0.162*
H16B 0.3620 0.7526 1.0150 0.162*
H16C 0.4944 0.8286 0.9835 0.162*
C17 0.5773 (7) 0.9936 (4) 0.7672 (4) 0.119 (2)
H17A 0.6705 0.9984 0.7736 0.179*
H17B 0.5622 1.0823 0.8082 0.179*
H17C 0.5478 0.9731 0.6973 0.179*
C18 1.1457 (3) 0.8450 (3) 0.6461 (2) 0.0536 (7)
H18A 1.1451 0.8826 0.5925 0.064*
H18B 1.2277 0.8182 0.6483 0.064*
C19 1.1387 (3) 0.9570 (3) 0.7460 (2) 0.0450 (6)
C20 1.0657 (4) 1.0516 (3) 0.7490 (2) 0.0671 (9)
H20 1.0205 1.0466 0.6873 0.081*
C21 1.0563 (4) 1.1546 (3) 0.8403 (2) 0.0677 (9)
H21 1.0048 1.2198 0.8403 0.081*
C22 1.1192 (3) 1.1659 (3) 0.9317 (2) 0.0452 (6)
C23 1.1931 (3) 1.0704 (3) 0.9268 (2) 0.0532 (7)
H23 1.2390 1.0752 0.9883 0.064*
C24 1.2033 (3) 0.9667 (3) 0.8350 (2) 0.0533 (7)
H24 1.2558 0.9019 0.8342 0.064*
C25 1.1111 (3) 1.2836 (3) 1.0308 (2) 0.0591 (8)
C26 0.9702 (4) 1.3046 (5) 1.0365 (3) 0.0903 (13)
H26A 0.9665 1.3779 1.0993 0.135*
H26B 0.9085 1.2186 1.0334 0.135*
H26C 0.9472 1.3306 0.9804 0.135*
C27 1.2089 (5) 1.4190 (4) 1.0328 (4) 0.1013 (15)
H27A 1.2976 1.4066 1.0315 0.152*
H27B 1.2037 1.4947 1.0937 0.152*
H27C 1.1868 1.4408 0.9745 0.152*
C28 1.1443 (4) 1.2485 (5) 1.1241 (3) 0.0840 (11)
H28A 1.2353 1.2435 1.1266 0.126*
H28B 1.0870 1.1594 1.1196 0.126*
H28C 1.1315 1.3204 1.1846 0.126*
O1 0.4055 (2) 0.4294 (3) 0.80195 (18) 0.0717 (6)
O2 0.3740 (2) 0.6898 (3) 0.86948 (17) 0.0741 (7)
O3 0.5058 (3) 0.8868 (3) 0.8002 (2) 0.0870 (8)
O4 0.5832 (3) 0.1696 (3) 0.4946 (3) 0.0969 (10)
H4A 0.499 (2) 0.144 (6) 0.501 (4) 0.145*
H4B 0.623 (5) 0.107 (5) 0.501 (4) 0.145*