x | y | z | Uiso*/Ueq | ||
C1 | 0.14422 (14) | 0.0794 (4) | 0.26877 (9) | 0.0610 (6) | |
H1A | 0.1939 | 0.1190 | 0.2574 | 0.073* | |
H1B | 0.1283 | −0.0507 | 0.2487 | 0.073* | |
C2 | 0.14588 (11) | 0.0187 (4) | 0.32636 (9) | 0.0493 (5) | |
C3 | 0.17158 (12) | −0.1926 (4) | 0.34057 (10) | 0.0561 (6) | |
H3 | 0.1836 | −0.2958 | 0.3145 | 0.067* | |
C4 | 0.17986 (13) | −0.2546 (4) | 0.39256 (10) | 0.0596 (6) | |
H4 | 0.1975 | −0.3962 | 0.4019 | 0.071* | |
C5 | 0.16096 (13) | −0.0985 (4) | 0.42922 (9) | 0.0550 (6) | |
C6 | 0.13417 (14) | 0.1100 (4) | 0.41568 (9) | 0.0559 (6) | |
C7 | 0.12552 (13) | 0.1742 (4) | 0.36469 (8) | 0.0547 (6) | |
H7 | 0.1069 | 0.3154 | 0.3559 | 0.066* | |
C8 | 0.1485 (2) | 0.1023 (6) | 0.50195 (12) | 0.0966 (11) | |
H8A | 0.1936 | 0.1721 | 0.5148 | 0.116* | |
H8B | 0.1132 | 0.0948 | 0.5306 | 0.116* | |
C9 | 0.09760 (11) | 0.2425 (4) | 0.15195 (8) | 0.0492 (5) | |
C10 | 0.02961 (13) | 0.2300 (4) | 0.12712 (10) | 0.0625 (6) | |
H10 | −0.0093 | 0.3224 | 0.1377 | 0.075* | |
C11 | 0.01987 (15) | 0.0799 (5) | 0.08658 (11) | 0.0748 (8) | |
H11 | −0.0258 | 0.0719 | 0.0697 | 0.090* | |
C12 | 0.07628 (17) | −0.0566 (5) | 0.07097 (11) | 0.0805 (8) | |
H12 | 0.0689 | −0.1577 | 0.0436 | 0.097* | |
C13 | 0.14451 (16) | −0.0459 (5) | 0.09547 (11) | 0.0806 (9) | |
H13 | 0.1830 | −0.1390 | 0.0845 | 0.097* | |
C14 | 0.15560 (13) | 0.1045 (5) | 0.13662 (10) | 0.0647 (7) | |
H14 | 0.2013 | 0.1120 | 0.1535 | 0.078* | |
O1 | 0.18306 (9) | 0.4975 (3) | 0.20769 (7) | 0.0703 (5) | |
O2 | 0.04895 (10) | 0.5823 (3) | 0.20637 (6) | 0.0654 (5) | |
O3 | 0.16399 (11) | −0.1167 (3) | 0.48341 (7) | 0.0764 (6) | |
O4 | 0.11841 (13) | 0.2327 (3) | 0.46019 (6) | 0.0841 (6) | |
N1 | 0.09406 (10) | 0.2681 (3) | 0.25825 (7) | 0.0558 (5) | |
H1N | 0.0405 | 0.2323 | 0.2630 | 0.067* | |
S1 | 0.10836 (3) | 0.42069 (10) | 0.20672 (2) | 0.0518 (2) |