Skip to main content
. 2008 May 30;64(Pt 6):o1168. doi: 10.1107/S1600536808015511
x y z Uiso*/Ueq
Br5 0.04963 (2) 0.33514 (2) −0.16830 (6) 0.04284 (14)
O3 0.10671 (11) 0.56263 (13) 0.5779 (4) 0.0285 (4)
O12 0.33445 (13) 0.68019 (14) 0.3251 (4) 0.0321 (4)
O13 0.44151 (12) 0.62588 (17) 0.5516 (4) 0.0379 (5)
C1 0.23909 (16) 0.56919 (18) 0.6116 (5) 0.0242 (5)
C2 0.17380 (16) 0.60179 (18) 0.7005 (5) 0.0258 (5)
C3A 0.13162 (16) 0.50429 (18) 0.4058 (5) 0.0262 (5)
C4 0.08136 (18) 0.45375 (19) 0.2380 (5) 0.0308 (6)
H4 0.0263 0.4554 0.2388 0.037*
C5 0.11641 (18) 0.40163 (19) 0.0720 (5) 0.0307 (6)
C5A 0.19934 (18) 0.39606 (18) 0.0699 (5) 0.0293 (6)
C6 0.2347 (2) 0.34180 (19) −0.1028 (6) 0.0384 (7)
H6 0.2027 0.3084 −0.2251 0.046*
C7 0.3142 (2) 0.3368 (2) −0.0963 (6) 0.0422 (8)
H7 0.3368 0.3005 −0.2146 0.051*
C8 0.3627 (2) 0.3850 (2) 0.0844 (6) 0.0371 (7)
H8 0.4178 0.3802 0.0899 0.044*
C9 0.33055 (18) 0.43933 (19) 0.2536 (5) 0.0306 (6)
H9 0.3639 0.4719 0.3744 0.037*
C9A 0.24847 (17) 0.44736 (18) 0.2501 (5) 0.0268 (5)
C9B 0.21225 (16) 0.50423 (17) 0.4179 (5) 0.0242 (5)
C11 0.32098 (16) 0.59630 (19) 0.7023 (5) 0.0259 (5)
H11A 0.3502 0.5416 0.7670 0.031*
H11B 0.3199 0.6399 0.8413 0.031*
C12 0.36339 (16) 0.63946 (18) 0.5035 (5) 0.0258 (5)
C13 0.4870 (2) 0.6604 (3) 0.3638 (8) 0.0546 (10)
H13A 0.4710 0.6295 0.2058 0.082*
H13B 0.5425 0.6489 0.4141 0.082*
H13C 0.4782 0.7262 0.3438 0.082*
C21 0.16031 (19) 0.66841 (19) 0.8973 (6) 0.0315 (6)
H21A 0.1419 0.6362 1.0380 0.047*
H21B 0.1209 0.7129 0.8313 0.047*
H21C 0.2093 0.7001 0.9526 0.047*