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. 2008 Mar 20;64(Pt 4):m564–m565. doi: 10.1107/S1600536808006594
x y z Uiso*/Ueq
Cr1 0.266361 (19) 0.491881 (19) 0.195816 (11) 0.01104 (4)
N1 0.26445 (10) 0.49786 (10) 0.05944 (6) 0.01197 (16)
N2 0.24857 (10) 0.48069 (10) 0.33175 (6) 0.01179 (15)
N3 0.72695 (12) 0.97534 (12) 0.45391 (7) 0.0194 (2)
N4 0.77831 (12) 0.99799 (11) 0.93219 (7) 0.01759 (19)
H4A 0.7795 0.9955 0.9926 0.021*
O1 0.12674 (9) 0.65329 (9) 0.16270 (5) 0.01546 (15)
O2 −0.00659 (10) 0.76524 (10) 0.04713 (6) 0.01965 (17)
O3 0.53501 (10) 0.23112 (10) 0.06204 (6) 0.01963 (17)
O4 0.41631 (9) 0.33790 (9) 0.17374 (5) 0.01495 (15)
O5 0.41777 (9) 0.62055 (9) 0.22808 (5) 0.01508 (15)
O6 0.52644 (10) 0.70866 (11) 0.34625 (6) 0.02158 (18)
O7 −0.04989 (10) 0.27542 (10) 0.32192 (6) 0.01938 (17)
O8 0.10916 (9) 0.35918 (9) 0.21729 (5) 0.01460 (15)
O9 −0.03988 (11) 0.69399 (11) 0.31867 (6) 0.0244 (2)
H9B 0.0051 0.6849 0.2685 0.029*
H9A −0.1101 0.7519 0.3036 0.029*
O10 0.72454 (10) 0.88911 (10) 0.27755 (6) 0.01963 (17)
H10B 0.6586 0.8335 0.2943 0.024*
H10A 0.7280 0.9332 0.3259 0.024*
O11 0.75568 (11) 0.04005 (11) 0.11110 (6) 0.0244 (2)
H11A 0.7538 −0.0099 0.1628 0.029*
H11B 0.6918 0.1065 0.1146 0.029*
O12 0.62868 (11) 0.32459 (12) 0.32442 (7) 0.0285 (2)
H12B 0.5846 0.3188 0.2740 0.034*
H12A 0.7144 0.2935 0.3182 0.034*
C1 0.08705 (12) 0.67886 (12) 0.07649 (8) 0.01409 (18)
C2 0.17048 (12) 0.58722 (12) 0.01280 (7) 0.01299 (18)
C3 0.15612 (13) 0.58587 (13) −0.08223 (8) 0.0166 (2)
H3 0.0898 0.6496 −0.1163 0.020*
C4 0.24262 (14) 0.48751 (14) −0.12579 (8) 0.0186 (2)
H4 0.2348 0.4836 −0.1906 0.022*
C5 0.34043 (13) 0.39477 (13) −0.07555 (8) 0.0168 (2)
H5 0.3998 0.3282 −0.1052 0.020*
C6 0.34819 (12) 0.40300 (12) 0.01900 (7) 0.01346 (18)
C7 0.44279 (12) 0.31500 (12) 0.08853 (8) 0.01428 (19)
C8 0.43694 (12) 0.63540 (12) 0.31482 (8) 0.01491 (19)
C9 0.33577 (12) 0.55471 (12) 0.37879 (7) 0.01382 (18)
C10 0.32408 (13) 0.55271 (13) 0.47402 (7) 0.0162 (2)
H10 0.3849 0.6063 0.5082 0.019*
C11 0.22016 (13) 0.46959 (13) 0.51800 (8) 0.0173 (2)
H11 0.2115 0.4642 0.5833 0.021*
C12 0.12876 (13) 0.39426 (12) 0.46697 (7) 0.01504 (19)
H12 0.0572 0.3383 0.4966 0.018*
C13 0.14545 (12) 0.40345 (12) 0.37187 (7) 0.01239 (18)
C14 0.05814 (12) 0.33886 (12) 0.30060 (7) 0.01412 (19)
C15 0.81914 (14) 1.05946 (15) 0.48966 (8) 0.0212 (2)
H15 0.8785 1.1144 0.4486 0.025*
C16 0.83252 (14) 1.07062 (14) 0.58368 (8) 0.0186 (2)
H16 0.9013 1.1295 0.6064 0.022*
C17 0.74259 (12) 0.99342 (12) 0.64399 (8) 0.01442 (19)
C18 0.75518 (12) 0.99884 (12) 0.74499 (7) 0.01396 (18)
C19 0.88777 (13) 0.97587 (12) 0.78816 (8) 0.01581 (19)
H19 0.9716 0.9624 0.7525 0.019*
C20 0.89631 (13) 0.97280 (13) 0.88267 (8) 0.0172 (2)
H20 0.9856 0.9529 0.9129 0.021*
C21 0.64985 (14) 1.02645 (14) 0.89264 (8) 0.0185 (2)
H21 0.5694 1.0483 0.9295 0.022*
C22 0.63443 (13) 1.02407 (13) 0.79875 (8) 0.0171 (2)
H22 0.5429 1.0394 0.7709 0.020*
C23 0.64325 (13) 0.90875 (13) 0.60749 (8) 0.0167 (2)
H23 0.5783 0.8573 0.6466 0.020*
C24 0.64132 (14) 0.90131 (13) 0.51256 (8) 0.0184 (2)
H24 0.5760 0.8407 0.4879 0.022*