x | y | z | Uiso*/Ueq | ||
O1 | 0.4955 (3) | 0.50383 (14) | 0.8319 (2) | 0.0568 (5) | |
O2 | 0.5421 (4) | 0.5731 (2) | 0.6018 (3) | 0.0869 (7) | |
O3 | 0.6082 (2) | 0.37119 (15) | 1.04064 (19) | 0.0521 (4) | |
H3 | 0.713 (5) | 0.354 (3) | 1.018 (4) | 0.079 (9)* | |
O4 | −0.0560 (2) | 0.35876 (16) | 0.9801 (3) | 0.0635 (5) | |
C1 | 0.0324 (3) | 0.28290 (19) | 0.9675 (3) | 0.0456 (5) | |
C2 | −0.0216 (4) | 0.1763 (2) | 0.9971 (4) | 0.0635 (7) | |
H2A | −0.1422 | 0.1778 | 1.0153 | 0.079 (9)* | |
H2B | 0.0844 | 0.1476 | 1.1053 | 0.073 (9)* | |
C3 | −0.0542 (4) | 0.1087 (2) | 0.8333 (4) | 0.0643 (7) | |
H3A | −0.1759 | 0.1299 | 0.7312 | 0.074 (9)* | |
H3B | −0.0713 | 0.0379 | 0.8615 | 0.059 (8)* | |
C4 | 0.1189 (4) | 0.11441 (18) | 0.7792 (3) | 0.0518 (6) | |
H4 | 0.2377 | 0.0891 | 0.8827 | 0.059 (7)* | |
C5 | 0.1632 (3) | 0.22659 (16) | 0.7435 (3) | 0.0375 (4) | |
C6 | 0.3567 (3) | 0.22904 (18) | 0.7137 (3) | 0.0448 (5) | |
H6A | 0.4602 | 0.1896 | 0.8084 | 0.057 (7)* | |
H6B | 0.3309 | 0.1977 | 0.5979 | 0.050 (7)* | |
C7 | 0.4259 (3) | 0.33673 (18) | 0.7168 (3) | 0.0422 (5) | |
C8 | 0.4541 (3) | 0.40177 (17) | 0.8797 (3) | 0.0412 (5) | |
C9 | 0.2648 (3) | 0.40183 (17) | 0.9078 (3) | 0.0407 (5) | |
H9A | 0.1589 | 0.4368 | 0.8076 | 0.036 (5)* | |
H9B | 0.2875 | 0.4377 | 1.0192 | 0.043 (6)* | |
C10 | 0.2059 (3) | 0.29068 (16) | 0.9181 (3) | 0.0372 (4) | |
H10 | 0.3200 | 0.2583 | 1.0170 | 0.044 (6)* | |
C11 | 0.4554 (3) | 0.3931 (2) | 0.5961 (3) | 0.0488 (6) | |
C12 | 0.5040 (4) | 0.4988 (3) | 0.6676 (4) | 0.0588 (6) | |
C13 | 0.4395 (4) | 0.3664 (3) | 0.4119 (3) | 0.0668 (8) | |
H13A | 0.5521 | 0.3940 | 0.3982 | 0.090* | |
H13B | 0.3190 | 0.3950 | 0.3207 | 0.090* | |
H13C | 0.4374 | 0.2930 | 0.3988 | 0.090* | |
C14 | −0.0102 (3) | 0.27228 (19) | 0.5782 (3) | 0.0512 (5) | |
H14A | 0.0173 | 0.3431 | 0.5648 | 0.090* | |
H14B | −0.1303 | 0.2676 | 0.5947 | 0.090* | |
H14C | −0.0266 | 0.2348 | 0.4713 | 0.090* | |
C15 | 0.0800 (5) | 0.0415 (2) | 0.6210 (5) | 0.0771 (9) | |
H15A | 0.1886 | 0.0454 | 0.5872 | 0.090* | |
H15B | −0.0415 | 0.0607 | 0.5195 | 0.090* | |
H15C | 0.0685 | −0.0276 | 0.6569 | 0.090* |