x | y | z | Uiso*/Ueq | ||
O1 | 0.6355 (3) | 0.48950 (8) | 0.38804 (7) | 0.0332 (3) | |
O2 | 1.0631 (3) | 0.10838 (8) | 0.62211 (7) | 0.0336 (3) | |
O3 | 0.2117 (3) | 0.11521 (8) | 0.23777 (6) | 0.0291 (3) | |
C1 | 0.6468 (4) | 0.37799 (10) | 0.40378 (8) | 0.0214 (3) | |
C2 | 0.8207 (3) | 0.34507 (10) | 0.48515 (8) | 0.0207 (3) | |
H2 | 0.9189 | 0.4000 | 0.5254 | 0.025* | |
C3 | 0.8496 (3) | 0.23282 (10) | 0.50697 (7) | 0.0197 (3) | |
C4 | 0.7080 (4) | 0.15111 (10) | 0.44830 (8) | 0.0214 (3) | |
H4 | 0.7294 | 0.0740 | 0.4631 | 0.026* | |
C5 | 0.5354 (3) | 0.18440 (10) | 0.36798 (8) | 0.0206 (3) | |
C6 | 0.5036 (3) | 0.29757 (10) | 0.34512 (8) | 0.0204 (3) | |
H6 | 0.3850 | 0.3191 | 0.2899 | 0.024* | |
C7 | 1.0363 (4) | 0.20285 (11) | 0.59351 (8) | 0.0235 (3) | |
H7 | 1.1419 | 0.2615 | 0.6290 | 0.028* | |
C8 | 0.3862 (4) | 0.09684 (11) | 0.30752 (9) | 0.0253 (3) | |
H8 | 0.4289 | 0.0210 | 0.3240 | 0.030* | |
H1 | 0.519 (7) | 0.5065 (19) | 0.3394 (16) | 0.056 (7)* |