x | y | z | Uiso*/Ueq | ||
S1 | 0.14595 (10) | 0.13878 (8) | 0.07989 (5) | 0.0507 (2) | |
O1 | −0.0510 (3) | 0.1954 (3) | 0.08167 (19) | 0.0688 (6) | |
O2 | 0.2655 (3) | 0.1495 (3) | −0.03718 (16) | 0.0707 (6) | |
O3 | 0.2630 (3) | 0.0251 (3) | 0.40332 (17) | 0.0811 (7) | |
O4 | 0.0983 (3) | 0.1413 (3) | 0.59441 (16) | 0.0700 (6) | |
N1 | 0.1604 (3) | 0.2545 (3) | 0.18962 (17) | 0.0457 (5) | |
C1 | −0.0041 (3) | 0.3538 (3) | 0.2846 (2) | 0.0443 (6) | |
C2 | −0.0200 (3) | 0.3048 (3) | 0.4158 (2) | 0.0436 (6) | |
C3 | −0.1825 (4) | 0.4142 (4) | 0.5006 (3) | 0.0605 (7) | |
H3 | −0.195 | 0.3845 | 0.5878 | 0.073* | |
C4 | −0.3251 (4) | 0.5646 (4) | 0.4595 (4) | 0.0758 (9) | |
H4 | −0.4337 | 0.6344 | 0.5181 | 0.091* | |
C5 | −0.3076 (5) | 0.6121 (4) | 0.3320 (4) | 0.0801 (10) | |
H5 | −0.4039 | 0.7146 | 0.3039 | 0.096* | |
C6 | −0.1476 (4) | 0.5080 (4) | 0.2458 (3) | 0.0654 (8) | |
H6 | −0.1356 | 0.542 | 0.1596 | 0.078* | |
C7 | 0.3401 (4) | 0.2613 (4) | 0.1897 (2) | 0.0565 (7) | |
H7A | 0.4445 | 0.1594 | 0.1417 | 0.068* | |
H7B | 0.3614 | 0.2524 | 0.2781 | 0.068* | |
C8 | 0.3412 (5) | 0.4294 (5) | 0.1310 (3) | 0.0872 (11) | |
H8A | 0.4615 | 0.427 | 0.1332 | 0.131* | |
H8B | 0.2402 | 0.5307 | 0.1794 | 0.131* | |
H8C | 0.3228 | 0.4378 | 0.0429 | 0.131* | |
C9 | 0.2485 (4) | −0.0838 (3) | 0.1283 (2) | 0.0573 (7) | |
H9A | 0.3819 | −0.1245 | 0.1276 | 0.086* | |
H9B | 0.2333 | −0.1556 | 0.0697 | 0.086* | |
H9C | 0.1866 | −0.0938 | 0.2141 | 0.086* | |
C10 | 0.1286 (4) | 0.1421 (3) | 0.4659 (2) | 0.0457 (6) | |
C11 | 0.2403 (5) | −0.0050 (4) | 0.6546 (3) | 0.0754 (9) | |
H11A | 0.204 | 0.0075 | 0.747 | 0.113* | |
H11B | 0.3615 | −0.0042 | 0.6282 | 0.113* | |
H11C | 0.2499 | −0.1157 | 0.6285 | 0.113* |