x | y | z | Uiso*/Ueq | ||
O1 | 0.41955 (4) | 0.43646 (3) | −0.11953 (4) | 0.01606 (10) | |
O2 | 0.12092 (4) | 0.39264 (4) | 0.24042 (6) | 0.02378 (13) | |
O3 | 0.35506 (4) | 0.19277 (3) | 0.24263 (5) | 0.01785 (11) | |
O4 | 0.18491 (3) | 0.32355 (3) | 0.50833 (5) | 0.01370 (10) | |
O5 | 0.32107 (3) | 0.36949 (3) | 0.53699 (4) | 0.01306 (10) | |
C1 | 0.38478 (5) | 0.41214 (5) | −0.22594 (6) | 0.01835 (14) | |
H1A | 0.4187 | 0.4321 | −0.2894 | 0.028* | |
H1B | 0.3262 | 0.4299 | −0.2328 | 0.028* | |
H1C | 0.3855 | 0.3578 | −0.2289 | 0.028* | |
C2 | 0.38251 (4) | 0.40829 (4) | −0.02218 (5) | 0.01168 (11) | |
C3 | 0.42230 (5) | 0.42661 (4) | 0.08114 (6) | 0.01375 (12) | |
H3A | 0.4718 | 0.4567 | 0.0811 | 0.016* | |
C4 | 0.38909 (4) | 0.40059 (4) | 0.18390 (6) | 0.01299 (11) | |
H4A | 0.4165 | 0.4130 | 0.2540 | 0.016* | |
C5 | 0.31611 (4) | 0.35644 (4) | 0.18628 (5) | 0.01067 (11) | |
C6 | 0.27766 (4) | 0.33891 (4) | 0.08261 (6) | 0.01223 (11) | |
H6A | 0.2279 | 0.3092 | 0.0828 | 0.015* | |
C7 | 0.31024 (4) | 0.36386 (4) | −0.02199 (6) | 0.01273 (11) | |
H7A | 0.2834 | 0.3507 | −0.0921 | 0.015* | |
C8 | 0.27857 (4) | 0.33101 (4) | 0.30012 (5) | 0.01100 (11) | |
H8A | 0.2310 | 0.2958 | 0.2841 | 0.013* | |
C9 | 0.34387 (4) | 0.29187 (4) | 0.37349 (5) | 0.01071 (11) | |
C10 | 0.37999 (4) | 0.22215 (4) | 0.33249 (6) | 0.01227 (11) | |
C11 | 0.44481 (5) | 0.18319 (4) | 0.40660 (6) | 0.01532 (12) | |
H11A | 0.4845 | 0.1553 | 0.3568 | 0.018* | |
H11B | 0.4155 | 0.1470 | 0.4568 | 0.018* | |
C12 | 0.49507 (5) | 0.23714 (4) | 0.48070 (6) | 0.01564 (12) | |
H12A | 0.5300 | 0.2698 | 0.4312 | 0.019* | |
H12B | 0.5337 | 0.2092 | 0.5320 | 0.019* | |
C13 | 0.43452 (4) | 0.28408 (4) | 0.55218 (6) | 0.01375 (12) | |
H13A | 0.4103 | 0.2532 | 0.6144 | 0.016* | |
H13B | 0.4664 | 0.3253 | 0.5882 | 0.016* | |
C14 | 0.36412 (4) | 0.31523 (4) | 0.48106 (6) | 0.01110 (11) | |
C15 | 0.23657 (4) | 0.38542 (4) | 0.49304 (6) | 0.01137 (11) | |
C16 | 0.20491 (5) | 0.45323 (4) | 0.55788 (6) | 0.01448 (12) | |
H16A | 0.2459 | 0.4945 | 0.5488 | 0.017* | |
H16B | 0.2004 | 0.4415 | 0.6407 | 0.017* | |
C17 | 0.11806 (5) | 0.47705 (4) | 0.51201 (7) | 0.01725 (13) | |
H17A | 0.1003 | 0.5234 | 0.5509 | 0.021* | |
H17B | 0.0758 | 0.4382 | 0.5303 | 0.021* | |
C18 | 0.11950 (5) | 0.48996 (5) | 0.38134 (7) | 0.02103 (15) | |
H18A | 0.0610 | 0.4990 | 0.3537 | 0.025* | |
H18B | 0.1538 | 0.5346 | 0.3640 | 0.025* | |
C19 | 0.15647 (5) | 0.42367 (4) | 0.31926 (6) | 0.01632 (13) | |
C20 | 0.24286 (4) | 0.39890 (4) | 0.36411 (6) | 0.01216 (11) | |
H20A | 0.2833 | 0.4409 | 0.3521 | 0.015* | |
H1O4 | 0.1773 (11) | 0.3167 (9) | 0.5830 (15) | 0.044 (4)* |