x | y | z | Uiso*/Ueq | ||
C3 | −0.0408 (3) | 0.00360 (19) | 0.37884 (14) | 0.0446 (5) | |
C4 | 0.1214 (3) | 0.00403 (18) | 0.44674 (14) | 0.0425 (5) | |
C5 | 0.1708 (3) | −0.10707 (19) | 0.45566 (14) | 0.0431 (5) | |
C7 | 0.4230 (3) | −0.07508 (19) | 0.56234 (16) | 0.0500 (6) | |
H7 | 0.5254 | −0.0987 | 0.6016 | 0.06* | |
C8 | 0.3874 (3) | 0.03680 (18) | 0.55955 (14) | 0.0452 (5) | |
C9 | 0.4917 (3) | 0.13014 (18) | 0.61003 (15) | 0.0455 (5) | |
C11 | 0.2390 (3) | 0.19832 (18) | 0.51522 (14) | 0.0442 (5) | |
C12 | 0.2381 (3) | 0.07694 (18) | 0.50241 (14) | 0.0427 (5) | |
C13 | 0.0263 (3) | −0.28159 (19) | 0.37880 (16) | 0.0462 (5) | |
C14 | 0.0917 (3) | −0.3569 (2) | 0.44682 (16) | 0.0514 (6) | |
H14 | 0.1508 | −0.3332 | 0.5049 | 0.062* | |
C15 | 0.0681 (3) | −0.4684 (2) | 0.42733 (19) | 0.0584 (7) | |
H15 | 0.1132 | −0.5198 | 0.4726 | 0.07* | |
C16 | −0.0219 (3) | −0.5039 (2) | 0.3414 (2) | 0.0606 (7) | |
H16 | −0.0394 | −0.5787 | 0.3289 | 0.073* | |
C17 | −0.0852 (3) | −0.4279 (2) | 0.27450 (19) | 0.0616 (7) | |
H17 | −0.1454 | −0.4516 | 0.2165 | 0.074* | |
C18 | −0.0604 (3) | −0.3157 (2) | 0.29235 (16) | 0.0542 (6) | |
H18 | −0.1016 | −0.2645 | 0.2468 | 0.065* | |
C19 | −0.1519 (3) | 0.0984 (2) | 0.34157 (17) | 0.0549 (6) | |
H19A | −0.2592 | 0.0727 | 0.3172 | 0.082* | |
H19B | −0.1383 | 0.1329 | 0.2962 | 0.082* | |
H19C | −0.13 | 0.1509 | 0.3874 | 0.082* | |
C21 | 0.4456 (3) | 0.33472 (18) | 0.60655 (14) | 0.0426 (5) | |
C22 | 0.3722 (3) | 0.3988 (2) | 0.64181 (16) | 0.0489 (5) | |
H22 | 0.2948 | 0.3685 | 0.6523 | 0.059* | |
C23 | 0.4150 (3) | 0.5083 (2) | 0.66135 (16) | 0.0507 (6) | |
H23 | 0.3682 | 0.5525 | 0.6859 | 0.061* | |
C24 | 0.5284 (3) | 0.55016 (18) | 0.64357 (14) | 0.0461 (5) | |
C25 | 0.6055 (3) | 0.4867 (2) | 0.61069 (15) | 0.0496 (6) | |
H25 | 0.6842 | 0.5169 | 0.6012 | 0.06* | |
C26 | 0.5631 (3) | 0.37726 (19) | 0.59215 (15) | 0.0480 (5) | |
H26 | 0.6134 | 0.3325 | 0.5701 | 0.058* | |
O20 | 0.6301 (2) | 0.12980 (14) | 0.66441 (12) | 0.0587 (5) | |
O27 | 0.1327 (2) | 0.26369 (14) | 0.47771 (13) | 0.0592 (5) | |
O30 | 0.6424 (2) | 0.70822 (16) | 0.62526 (14) | 0.0675 (6) | |
N1 | 0.0428 (2) | −0.16562 (16) | 0.39668 (12) | 0.0469 (5) | |
N2 | −0.0858 (2) | −0.09733 (17) | 0.34974 (13) | 0.0497 (5) | |
N6 | 0.3155 (2) | −0.14946 (16) | 0.51075 (13) | 0.0489 (5) | |
N10 | 0.3932 (2) | 0.22413 (15) | 0.58107 (12) | 0.0453 (5) | |
N28 | 0.5686 (3) | 0.66741 (18) | 0.65876 (13) | 0.0561 (6) | |
O29 | 0.5258 (3) | 0.71978 (17) | 0.70287 (16) | 0.0830 (7) |