x | y | z | Uiso*/Ueq | ||
Cl1 | 0.42210 (6) | 0.13331 (4) | 0.298854 (11) | 0.02796 (10) | |
Cl2 | −0.42944 (7) | −0.05032 (6) | 0.057164 (13) | 0.04852 (14) | |
O1 | 0.54644 (18) | 0.07511 (14) | 0.39281 (4) | 0.0401 (3) | |
O2 | −0.26101 (17) | −0.20745 (14) | 0.33569 (3) | 0.0378 (3) | |
O3 | 0.31583 (17) | −0.12832 (14) | 0.24103 (3) | 0.0364 (3) | |
N | −0.02512 (19) | −0.06128 (15) | 0.27365 (4) | 0.0273 (3) | |
H0A | −0.1786 | −0.0415 | 0.2689 | 0.033* | |
C1 | 0.3653 (2) | 0.00688 (18) | 0.38026 (5) | 0.0275 (3) | |
C2 | 0.2705 (2) | 0.01309 (17) | 0.33244 (4) | 0.0251 (3) | |
C3 | 0.0712 (2) | −0.06238 (17) | 0.31773 (4) | 0.0240 (3) | |
C4 | −0.0749 (2) | −0.14777 (18) | 0.34975 (5) | 0.0264 (3) | |
C5 | 0.0144 (2) | −0.15604 (18) | 0.39758 (5) | 0.0272 (3) | |
C6 | −0.1138 (3) | −0.2369 (2) | 0.42817 (5) | 0.0391 (4) | |
H6A | −0.2591 | −0.2864 | 0.4186 | 0.047* | |
C7 | −0.0289 (3) | −0.2451 (3) | 0.47288 (5) | 0.0477 (5) | |
H7A | −0.1169 | −0.3002 | 0.4939 | 0.057* | |
C8 | 0.1823 (3) | −0.1737 (2) | 0.48705 (5) | 0.0477 (5) | |
H8A | 0.2390 | −0.1794 | 0.5177 | 0.057* | |
C9 | 0.3111 (3) | −0.0940 (2) | 0.45660 (5) | 0.0391 (4) | |
H9A | 0.4574 | −0.0459 | 0.4663 | 0.047* | |
C10 | 0.2273 (2) | −0.08383 (18) | 0.41170 (5) | 0.0287 (3) | |
C11 | 0.1070 (3) | −0.08964 (17) | 0.23680 (5) | 0.0263 (3) | |
C12 | −0.0252 (2) | −0.07098 (17) | 0.19218 (4) | 0.0245 (3) | |
C13 | −0.2316 (2) | 0.01736 (18) | 0.18635 (5) | 0.0277 (3) | |
H13A | −0.2882 | 0.0726 | 0.2110 | 0.033* | |
C14 | −0.3550 (3) | 0.02492 (19) | 0.14462 (5) | 0.0315 (3) | |
H14A | −0.4966 | 0.0846 | 0.1406 | 0.038* | |
C15 | −0.2697 (3) | −0.05531 (19) | 0.10907 (5) | 0.0307 (3) | |
C16 | −0.0608 (3) | −0.1395 (2) | 0.11357 (5) | 0.0319 (3) | |
H16A | −0.0020 | −0.1913 | 0.0885 | 0.038* | |
C17 | 0.0618 (3) | −0.14706 (19) | 0.15551 (5) | 0.0295 (3) | |
H17A | 0.2058 | −0.2045 | 0.1592 | 0.035* |