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. 2017 Mar 14;73(Pt 4):515–519. doi: 10.1107/S2056989017003541
x y z Uiso*/Ueq
I1 0.75296 (5) 0.48487 (2) 0.86223 (3) 0.05279 (17)
O1 0.4289 (4) 0.56119 (7) 0.7766 (3) 0.0273 (5)
O2 0.6669 (4) 0.62755 (8) 0.4628 (2) 0.0250 (5)
O3 0.4201 (4) 0.64214 (9) 0.2824 (3) 0.0284 (5)
O4 0.7068 (4) 0.65296 (8) −0.1219 (2) 0.0242 (5)
O5 0.4335 (4) 0.65188 (8) 0.0330 (3) 0.0272 (5)
H5O 0.434 (7) 0.6447 (14) 0.153 (5) 0.041*
N1 0.3606 (4) 0.65833 (8) 0.6639 (3) 0.0172 (5)
H1A 0.436 (6) 0.6486 (12) 0.592 (4) 0.021*
H1B 0.462 (7) 0.6587 (12) 0.735 (4) 0.021*
C1 0.1674 (5) 0.62389 (10) 0.6907 (4) 0.0227 (7)
H1C 0.1109 0.6293 0.7845 0.027*
H1D 0.0355 0.6289 0.6219 0.027*
C2 0.2549 (5) 0.57433 (10) 0.6802 (4) 0.0247 (7)
C3 0.2006 (7) 0.53816 (12) 0.5920 (5) 0.0379 (9)
H3 0.0876 0.5385 0.5163 0.045*
C4 0.3478 (8) 0.49932 (12) 0.6355 (5) 0.0425 (10)
H4 0.3511 0.4687 0.5950 0.051*
C5 0.4796 (6) 0.51500 (11) 0.7450 (4) 0.0307 (9)
C6 0.2890 (5) 0.71010 (10) 0.6427 (3) 0.0189 (7)
C7 0.5174 (5) 0.73740 (10) 0.6298 (4) 0.0236 (7)
H7A 0.6151 0.7339 0.7157 0.035*
H7B 0.4829 0.7710 0.6137 0.035*
H7C 0.6001 0.7248 0.5516 0.035*
C8 0.1369 (5) 0.71450 (11) 0.5089 (4) 0.0241 (7)
H8A 0.2219 0.7025 0.4310 0.036*
H8B 0.0968 0.7478 0.4926 0.036*
H8C −0.0061 0.6961 0.5171 0.036*
C9 0.1632 (5) 0.72673 (10) 0.7693 (4) 0.0225 (7)
H9A 0.0164 0.7094 0.7744 0.034*
H9B 0.1308 0.7607 0.7611 0.034*
H9C 0.2618 0.7208 0.8537 0.034*
C10 0.6235 (5) 0.63160 (9) 0.3358 (4) 0.0198 (7)
C11 0.8219 (5) 0.62384 (10) 0.2425 (3) 0.0213 (7)
H11 0.9625 0.6131 0.2884 0.026*
C12 0.8311 (5) 0.62967 (10) 0.1049 (4) 0.0225 (7)
H12 0.9776 0.6225 0.0690 0.027*
C13 0.6458 (5) 0.64577 (10) −0.0025 (3) 0.0196 (6)