x | y | z | Uiso*/Ueq | ||
C1 | 0.6338 (3) | 0.2128 (2) | 0.65195 (7) | 0.0474 (6) | |
C2 | 0.7278 (3) | 0.3098 (2) | 0.65125 (7) | 0.0558 (7) | |
H2 | 0.7806 | 0.3292 | 0.6264 | 0.067* | |
C3 | 0.7434 (3) | 0.3773 (2) | 0.68702 (8) | 0.0647 (8) | |
H3 | 0.8068 | 0.4417 | 0.6857 | 0.078* | |
C4 | 0.6681 (4) | 0.3524 (3) | 0.72464 (9) | 0.0701 (8) | |
C5 | 0.5731 (4) | 0.2569 (3) | 0.72513 (9) | 0.0789 (9) | |
H5 | 0.5193 | 0.2385 | 0.7499 | 0.095* | |
C6 | 0.5566 (3) | 0.1886 (2) | 0.68967 (8) | 0.0655 (8) | |
H6 | 0.4922 | 0.1247 | 0.691 | 0.079* | |
C7 | 0.6872 (5) | 0.4275 (3) | 0.76352 (9) | 0.1102 (13) | |
H7A | 0.5982 | 0.419 | 0.7817 | 0.165* | |
H7B | 0.6963 | 0.5062 | 0.7548 | 0.165* | |
H7C | 0.7791 | 0.4052 | 0.7787 | 0.165* | |
C8 | 0.6120 (3) | 0.1326 (2) | 0.61524 (8) | 0.0517 (7) | |
O9 | 0.5392 (2) | 0.04387 (16) | 0.62062 (6) | 0.0725 (6) | |
C10 | 0.6724 (3) | 0.1633 (2) | 0.57086 (8) | 0.0527 (7) | |
C11 | 0.5841 (3) | 0.2689 (2) | 0.55401 (8) | 0.0724 (9) | |
H111 | 0.5999 | 0.3323 | 0.573 | 0.109* | |
H112 | 0.4752 | 0.2516 | 0.5524 | 0.109* | |
H113 | 0.6221 | 0.2884 | 0.5262 | 0.109* | |
O12 | 0.9115 (2) | 0.25100 (18) | 0.54691 (6) | 0.0790 (6) | |
O13 | 0.91700 (19) | 0.11790 (14) | 0.59947 (5) | 0.0560 (5) | |
C14 | 0.6468 (4) | 0.0623 (3) | 0.54016 (8) | 0.0826 (9) | |
H14A | 0.6857 | 0.082 | 0.5124 | 0.124* | |
H14B | 0.5378 | 0.0456 | 0.5383 | 0.124* | |
H14C | 0.701 | −0.004 | 0.5506 | 0.124* | |
C15 | 0.8467 (3) | 0.1858 (2) | 0.57099 (8) | 0.0557 (7) | |
C16 | 1.0892 (3) | 0.1174 (2) | 0.60458 (8) | 0.0608 (7) | |
C17 | 1.1112 (4) | 0.0345 (3) | 0.64115 (10) | 0.1023 (12) | |
H17A | 1.0663 | −0.0383 | 0.6338 | 0.153* | |
H17B | 1.0611 | 0.0641 | 0.6662 | 0.153* | |
H17C | 1.2202 | 0.0249 | 0.6467 | 0.153* | |
C18 | 1.1633 (4) | 0.0715 (3) | 0.56456 (10) | 0.0879 (10) | |
H181 | 1.2716 | 0.0574 | 0.5697 | 0.132* | |
H182 | 1.1522 | 0.1266 | 0.542 | 0.132* | |
H183 | 1.1132 | 0.0011 | 0.5565 | 0.132* | |
C19 | 1.1454 (4) | 0.2360 (3) | 0.61636 (11) | 0.0997 (11) | |
H19A | 1.0827 | 0.2658 | 0.6392 | 0.15* | |
H19B | 1.1372 | 0.2856 | 0.592 | 0.15* | |
H19C | 1.2518 | 0.2321 | 0.6254 | 0.15* |