x | y | z | Uiso*/Ueq | ||
O4 | 0.32777 (16) | 1.4401 (3) | −0.05914 (8) | 0.0669 (5) | |
O5 | 0.02849 (14) | 0.7077 (2) | −0.03142 (7) | 0.0531 (4) | |
O1 | 0.22406 (15) | 0.5649 (2) | 0.07880 (7) | 0.0525 (4) | |
H1 | 0.1487 | 0.5610 | 0.0479 | 0.063* | |
O3 | 0.62014 (15) | 1.0321 (3) | 0.15870 (9) | 0.0746 (5) | |
H3 | 0.6408 | 0.9283 | 0.1889 | 0.090* | |
O2 | 0.58762 (18) | 0.6610 (3) | 0.22568 (9) | 0.0811 (6) | |
C6 | 0.2604 (2) | 1.2727 (3) | −0.05264 (10) | 0.0437 (5) | |
C7 | 0.12238 (19) | 1.2323 (3) | −0.10446 (9) | 0.0388 (5) | |
C12 | 0.04523 (18) | 1.0390 (3) | −0.09796 (9) | 0.0364 (4) | |
C13 | 0.09986 (19) | 0.8728 (3) | −0.03790 (10) | 0.0388 (5) | |
C14 | 0.23549 (18) | 0.9106 (3) | 0.01290 (10) | 0.0377 (4) | |
C5 | 0.31419 (18) | 1.1053 (3) | 0.00715 (10) | 0.0396 (5) | |
C4 | 0.4429 (2) | 1.1451 (4) | 0.05601 (11) | 0.0493 (5) | |
H4 | 0.4935 | 1.2742 | 0.0513 | 0.059* | |
C3 | 0.4949 (2) | 0.9898 (4) | 0.11180 (11) | 0.0521 (6) | |
C2 | 0.4211 (2) | 0.7925 (4) | 0.11979 (10) | 0.0461 (5) | |
C1 | 0.2905 (2) | 0.7533 (3) | 0.06963 (10) | 0.0425 (5) | |
C15 | 0.4762 (3) | 0.6333 (4) | 0.17886 (13) | 0.0652 (7) | |
H15 | 0.4247 | 0.5031 | 0.1817 | 0.078* | |
C11 | −0.0846 (2) | 1.0056 (4) | −0.14710 (10) | 0.0446 (5) | |
H11 | −0.1359 | 0.8766 | −0.1430 | 0.054* | |
C10 | −0.1371 (2) | 1.1638 (4) | −0.20178 (10) | 0.0509 (5) | |
H10 | −0.2239 | 1.1414 | −0.2346 | 0.061* | |
C9 | −0.0613 (2) | 1.3547 (4) | −0.20791 (11) | 0.0539 (6) | |
H9 | −0.0975 | 1.4613 | −0.2447 | 0.065* | |
C8 | 0.0679 (2) | 1.3894 (4) | −0.15996 (10) | 0.0486 (5) | |
H8 | 0.1185 | 1.5183 | −0.1648 | 0.058* |