x | y | z | Uiso*/Ueq | ||
O1 | 0.36130 (10) | 0.0311 (2) | 0.47366 (9) | 0.0704 (5) | |
H1 | 0.4166 | 0.0276 | 0.5177 | 0.106* | |
O2 | 0.46474 (9) | −0.0058 (2) | 0.37694 (9) | 0.0627 (4) | |
O3 | 0.14695 (9) | −0.0066 (2) | −0.05814 (9) | 0.0669 (4) | |
O4 | 0.31564 (8) | −0.05274 (16) | 0.01634 (7) | 0.0411 (3) | |
O5 | 0.48190 (13) | 0.2965 (2) | −0.11562 (12) | 0.0767 (5) | |
C1 | 0.37753 (13) | 0.0154 (2) | 0.38694 (11) | 0.0435 (4) | |
C2 | 0.28422 (12) | 0.0221 (2) | 0.29912 (11) | 0.0370 (4) | |
C3 | 0.18668 (13) | 0.0478 (2) | 0.31086 (12) | 0.0435 (4) | |
H3 | 0.1791 | 0.0628 | 0.3746 | 0.052* | |
C4 | 0.10086 (13) | 0.0512 (3) | 0.22840 (13) | 0.0505 (5) | |
H4 | 0.0355 | 0.0673 | 0.2366 | 0.061* | |
C5 | 0.11211 (13) | 0.0306 (3) | 0.13359 (13) | 0.0471 (4) | |
H5 | 0.0542 | 0.0336 | 0.0780 | 0.056* | |
C6 | 0.20966 (12) | 0.0052 (2) | 0.12066 (11) | 0.0368 (4) | |
C7 | 0.29593 (12) | 0.0005 (2) | 0.20355 (11) | 0.0370 (4) | |
H7 | 0.3613 | −0.0169 | 0.1955 | 0.044* | |
C8 | 0.21703 (12) | −0.0183 (2) | 0.01684 (12) | 0.0404 (4) | |
C9 | 0.33430 (12) | −0.0900 (2) | −0.07617 (11) | 0.0381 (4) | |
C10 | 0.30562 (14) | −0.2564 (3) | −0.11818 (13) | 0.0485 (4) | |
H10 | 0.2692 | −0.3350 | −0.0892 | 0.058* | |
C11 | 0.33147 (15) | −0.3054 (3) | −0.20375 (13) | 0.0560 (5) | |
H11 | 0.3132 | −0.4178 | −0.2319 | 0.067* | |
C12 | 0.38433 (14) | −0.1876 (3) | −0.24715 (13) | 0.0552 (5) | |
H12 | 0.4012 | −0.2199 | −0.3049 | 0.066* | |
C13 | 0.41194 (13) | −0.0225 (3) | −0.20493 (12) | 0.0476 (5) | |
H13 | 0.4474 | 0.0559 | −0.2351 | 0.057* | |
C14 | 0.38845 (12) | 0.0318 (2) | −0.11770 (11) | 0.0375 (4) | |
C15 | 0.42394 (13) | 0.2153 (2) | −0.07883 (12) | 0.0456 (4) | |
C16 | 0.38994 (17) | 0.3003 (3) | 0.00334 (16) | 0.0614 (5) | |
H16A | 0.4174 | 0.4195 | 0.0148 | 0.092* | |
H16B | 0.4148 | 0.2311 | 0.0635 | 0.092* | |
H16C | 0.3158 | 0.3051 | −0.0154 | 0.092* |