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. 2009 Feb 6;65(Pt 3):o467. doi: 10.1107/S1600536809003523
x y z Uiso*/Ueq
Br1 0.12714 (6) 0.10565 (5) 1.01969 (7) 0.1061 (4)
O1 0.5590 (3) 0.4373 (2) 0.7177 (4) 0.0864 (11)
O2 0.6752 (4) 0.3470 (3) 0.5468 (4) 0.1049 (13)
O3 0.7863 (4) 0.3351 (3) 0.7398 (4) 0.0901 (11)
O4 0.8559 (3) −0.0461 (2) 0.5587 (3) 0.0662 (9)
C1 0.2279 (4) 0.1456 (4) 0.9511 (5) 0.0673 (13)
C2 0.2177 (5) 0.2318 (4) 0.9038 (5) 0.0777 (15)
H2A 0.1619 0.2715 0.9068 0.093*
C3 0.2889 (4) 0.2597 (3) 0.8525 (5) 0.0700 (13)
H3A 0.2809 0.3185 0.8200 0.084*
C4 0.3099 (4) 0.0866 (3) 0.9484 (5) 0.0687 (13)
H4A 0.3174 0.0281 0.9818 0.082*
C5 0.3812 (4) 0.1153 (3) 0.8955 (5) 0.0635 (12)
H5A 0.4362 0.0749 0.8922 0.076*
C6 0.3739 (4) 0.2020 (3) 0.8474 (4) 0.0534 (11)
C7 0.4524 (4) 0.2326 (3) 0.7936 (4) 0.0523 (10)
C8 0.5179 (4) 0.1615 (3) 0.7592 (4) 0.0591 (12)
H8A 0.5465 0.1162 0.8234 0.071*
H8B 0.4660 0.1302 0.6871 0.071*
C9 0.6161 (5) 0.1980 (3) 0.7360 (6) 0.0819 (16)
H9A 0.6733 0.2120 0.8171 0.098*
C10 0.4667 (4) 0.3220 (3) 0.7762 (5) 0.0649 (13)
H10A 0.4249 0.3647 0.7988 0.078*
C11 0.5422 (4) 0.3557 (3) 0.7250 (5) 0.0664 (13)
C12 0.5970 (5) 0.2855 (3) 0.6760 (6) 0.0923 (19)
H12A 0.5368 0.2717 0.5965 0.111*
C13 0.6893 (5) 0.3258 (3) 0.6454 (7) 0.0745 (15)
C14 0.8792 (5) 0.3710 (5) 0.7141 (8) 0.122 (3)
H14A 0.9372 0.3963 0.7873 0.147*
H14B 0.8510 0.4203 0.6554 0.147*
C15 0.9299 (8) 0.2991 (7) 0.6667 (11) 0.176 (4)
H15A 0.9915 0.3247 0.6506 0.264*
H15B 0.8728 0.2748 0.5934 0.264*
H15C 0.9587 0.2506 0.7251 0.264*
C16 0.6757 (5) 0.1277 (3) 0.6896 (5) 0.0666 (13)
C17 0.6243 (4) 0.0920 (4) 0.5765 (6) 0.0792 (15)
H17A 0.5488 0.1082 0.5298 0.095*
C18 0.6789 (4) 0.0329 (4) 0.5277 (5) 0.0737 (14)
H18A 0.6411 0.0099 0.4499 0.088*
C19 0.7853 (5) 0.0997 (3) 0.7578 (5) 0.0791 (15)
H19A 0.8221 0.1205 0.8368 0.095*
C20 0.8414 (5) 0.0416 (4) 0.7115 (5) 0.0747 (14)
H20A 0.9160 0.0240 0.7593 0.090*
C21 0.7896 (4) 0.0092 (3) 0.5964 (4) 0.0574 (11)
C22 0.8162 (5) −0.0624 (4) 0.4328 (5) 0.0775 (14)
H22A 0.7985 −0.0046 0.3891 0.093*
H22B 0.7475 −0.0997 0.4051 0.093*
C23 0.9080 (5) −0.1110 (4) 0.4114 (6) 0.0858 (17)
H23A 0.8839 −0.1220 0.3265 0.129*
H23B 0.9237 −0.1687 0.4536 0.129*
H23C 0.9759 −0.0739 0.4402 0.129*