x | y | z | Uiso*/Ueq | ||
O1 | 1.4383 (3) | 0.50000 (16) | 0.83522 (15) | 0.0436 (4) | |
O2 | 1.7272 (3) | 0.51296 (19) | 0.96204 (18) | 0.0592 (5) | |
O3 | 0.8098 (4) | 0.4410 (2) | 0.57958 (18) | 0.0677 (6) | |
O4 | 1.0213 (3) | 0.30444 (18) | 0.91374 (15) | 0.0500 (5) | |
O5 | 1.1435 (3) | 0.06759 (16) | 0.79342 (17) | 0.0490 (4) | |
C1 | 1.5866 (4) | 0.5712 (3) | 0.9034 (2) | 0.0461 (6) | |
C2 | 1.5618 (5) | 0.7069 (3) | 0.8999 (3) | 0.0553 (7) | |
H2 | 1.6632 | 0.7576 | 0.9436 | 0.066* | |
C3 | 1.3954 (5) | 0.7612 (3) | 0.8350 (3) | 0.0567 (7) | |
H3 | 1.3813 | 0.8493 | 0.8345 | 0.068* | |
C4 | 1.2374 (5) | 0.6858 (2) | 0.7657 (2) | 0.0476 (6) | |
C5 | 1.0585 (5) | 0.7350 (3) | 0.6972 (3) | 0.0596 (8) | |
H5A | 1.0373 | 0.8226 | 0.6939 | 0.071* | |
C6 | 0.9124 (5) | 0.6572 (3) | 0.6344 (3) | 0.0610 (8) | |
H6 | 0.7931 | 0.6918 | 0.5888 | 0.073* | |
C7 | 0.9433 (5) | 0.5268 (3) | 0.6391 (2) | 0.0513 (7) | |
C8 | 1.1185 (4) | 0.4708 (2) | 0.7080 (2) | 0.0415 (5) | |
C9 | 1.2625 (4) | 0.5534 (2) | 0.7693 (2) | 0.0400 (5) | |
C10 | 0.6251 (5) | 0.4863 (4) | 0.5056 (3) | 0.0792 (11) | |
H10A | 0.5429 | 0.4153 | 0.4723 | 0.119* | |
H10B | 0.6864 | 0.5372 | 0.4442 | 0.119* | |
H10C | 0.5222 | 0.5367 | 0.5507 | 0.119* | |
C11 | 1.1382 (4) | 0.3280 (2) | 0.7160 (2) | 0.0419 (5) | |
H11A | 1.2906 | 0.3052 | 0.7459 | 0.050* | |
H11B | 1.1181 | 0.2912 | 0.6387 | 0.050* | |
C12 | 0.9563 (4) | 0.2742 (2) | 0.79647 (19) | 0.0388 (5) | |
H12 | 0.8090 | 0.3159 | 0.7777 | 0.047* | |
C13 | 0.9231 (4) | 0.1295 (2) | 0.7838 (2) | 0.0406 (5) | |
C14 | 0.7685 (5) | 0.0804 (3) | 0.8780 (3) | 0.0628 (8) | |
H14A | 0.7520 | −0.0100 | 0.8704 | 0.094* | |
H14B | 0.6199 | 0.1200 | 0.8700 | 0.094* | |
H14C | 0.8354 | 0.1002 | 0.9534 | 0.094* | |
C15 | 0.8225 (5) | 0.0987 (3) | 0.6642 (3) | 0.0628 (8) | |
H15A | 0.7866 | 0.0096 | 0.6600 | 0.094* | |
H15B | 0.9324 | 0.1193 | 0.6059 | 0.094* | |
H15C | 0.6846 | 0.1474 | 0.6505 | 0.094* | |
H4 | 0.935 (6) | 0.363 (3) | 0.937 (4) | 0.119 (17)* | |
H5 | 1.183 (6) | 0.068 (4) | 0.8650 (12) | 0.089 (12)* |