x | y | z | Uiso*/Ueq | ||
O3 | 0.6461 (3) | 0.33269 (14) | 0.01419 (12) | 0.0536 (4) | |
H3 | 0.796 (5) | 0.389 (3) | 0.002 (3) | 0.104 (10)* | |
O1 | 0.9195 (2) | 0.59305 (13) | 0.12532 (12) | 0.0518 (3) | |
O2 | 0.0447 (3) | 0.36386 (14) | 0.31887 (13) | 0.0647 (4) | |
C1 | 0.7232 (3) | 0.54469 (17) | 0.17533 (15) | 0.0388 (4) | |
C2 | 0.5615 (3) | 0.39989 (17) | 0.11881 (15) | 0.0403 (4) | |
C3 | 0.3415 (3) | 0.33844 (17) | 0.16560 (15) | 0.0419 (4) | |
C4 | 0.2483 (3) | 0.41556 (18) | 0.27733 (16) | 0.0431 (4) | |
C5 | 0.3230 (4) | 0.6358 (2) | 0.44404 (17) | 0.0511 (4) | |
H5 | 0.1693 | 0.5951 | 0.4767 | 0.061* | |
C6 | 0.4664 (4) | 0.7695 (2) | 0.50175 (19) | 0.0586 (5) | |
H6 | 0.4109 | 0.8182 | 0.5740 | 0.070* | |
C7 | 0.6917 (4) | 0.8311 (2) | 0.4525 (2) | 0.0642 (6) | |
H7 | 0.7871 | 0.9218 | 0.4915 | 0.077* | |
C8 | 0.7782 (3) | 0.7597 (2) | 0.34557 (18) | 0.0530 (5) | |
H8 | 0.9302 | 0.8021 | 0.3123 | 0.064* | |
C9 | 0.6345 (3) | 0.62361 (16) | 0.28851 (15) | 0.0389 (4) | |
C10 | 0.4061 (3) | 0.56178 (17) | 0.33796 (15) | 0.0397 (4) | |
C11 | 0.1798 (4) | 0.19019 (18) | 0.10516 (18) | 0.0536 (5) | |
H11A | 0.0054 | 0.1811 | 0.1290 | 0.064* | |
H11B | 0.1751 | 0.1833 | 0.0103 | 0.064* | |
C12 | 0.2779 (4) | 0.07067 (19) | 0.14761 (17) | 0.0552 (5) | |
C13 | 0.3566 (5) | −0.0258 (2) | 0.1781 (2) | 0.0829 (7) | |
H13 | 0.4196 | −0.1030 | 0.2026 | 0.099* |