x | y | z | Uiso*/Ueq | ||
N1 | 0.1498 (4) | 0.0866 (2) | 0.89083 (7) | 0.0245 (5) | |
N2 | 0.0660 (4) | 0.1260 (2) | 0.75130 (7) | 0.0265 (5) | |
N3 | 0.3789 (4) | 0.4000 (2) | 0.71465 (7) | 0.0311 (6) | |
O1 | 0.3831 (4) | 0.45515 (18) | 0.67293 (6) | 0.0327 (5) | |
H1O | 0.4731 | 0.5164 | 0.6730 | 0.049* | |
Cl1 | 0.28052 (15) | −0.51575 (6) | 0.95786 (2) | 0.0408 (2) | |
C1 | 0.1254 (5) | 0.1143 (3) | 0.84757 (8) | 0.0263 (6) | |
H1 | 0.0091 | 0.0816 | 0.8293 | 0.032* | |
C2 | 0.3379 (5) | 0.1501 (2) | 0.90706 (9) | 0.0257 (6) | |
C3 | 0.4304 (5) | 0.1521 (2) | 0.94836 (9) | 0.0313 (7) | |
H3 | 0.3656 | 0.1040 | 0.9711 | 0.038* | |
C4 | 0.6191 (5) | 0.2263 (3) | 0.95518 (10) | 0.0338 (7) | |
H4 | 0.6823 | 0.2314 | 0.9834 | 0.041* | |
C5 | 0.7198 (5) | 0.2941 (2) | 0.92199 (9) | 0.0357 (7) | |
H5 | 0.8529 | 0.3425 | 0.9276 | 0.043* | |
C6 | 0.6283 (5) | 0.2917 (2) | 0.88076 (9) | 0.0303 (7) | |
H6 | 0.6975 | 0.3385 | 0.8582 | 0.036* | |
C7 | 0.4340 (5) | 0.2203 (2) | 0.87271 (9) | 0.0252 (6) | |
C8 | 0.2938 (5) | 0.1964 (2) | 0.83457 (8) | 0.0241 (6) | |
C9 | 0.3253 (5) | 0.2570 (2) | 0.79299 (9) | 0.0249 (6) | |
H9 | 0.4310 | 0.3245 | 0.7925 | 0.030* | |
C10 | 0.2250 (5) | 0.2300 (2) | 0.75544 (8) | 0.0232 (6) | |
C11 | 0.2554 (5) | 0.2987 (2) | 0.71447 (8) | 0.0254 (6) | |
C12 | 0.1228 (5) | 0.2401 (3) | 0.67821 (9) | 0.0307 (7) | |
H12 | 0.1483 | 0.2857 | 0.6504 | 0.037* | |
C13 | −0.1316 (5) | 0.2419 (3) | 0.69126 (10) | 0.0371 (7) | |
H13A | −0.2244 | 0.1972 | 0.6694 | 0.044* | |
H13B | −0.1872 | 0.3292 | 0.6931 | 0.044* | |
C14 | −0.1551 (5) | 0.1767 (3) | 0.73590 (9) | 0.0306 (7) | |
H14A | −0.2140 | 0.2376 | 0.7573 | 0.037* | |
H14B | −0.2677 | 0.1078 | 0.7336 | 0.037* | |
C15 | 0.1538 (5) | 0.0380 (2) | 0.71842 (8) | 0.0297 (7) | |
H15A | 0.0415 | −0.0303 | 0.7143 | 0.036* | |
H15B | 0.2984 | 0.0004 | 0.7289 | 0.036* | |
C16 | 0.1976 (6) | 0.1027 (3) | 0.67474 (9) | 0.0355 (7) | |
H16A | 0.3624 | 0.0980 | 0.6674 | 0.043* | |
H16B | 0.1096 | 0.0603 | 0.6517 | 0.043* | |
C17 | −0.0065 (5) | 0.0109 (2) | 0.91598 (9) | 0.0283 (6) | |
H17A | −0.1531 | 0.0046 | 0.9001 | 0.034* | |
H17B | −0.0380 | 0.0546 | 0.9435 | 0.034* | |
C18 | 0.0755 (5) | −0.1200 (3) | 0.92624 (8) | 0.0256 (6) | |
C19 | −0.0692 (5) | −0.1968 (3) | 0.95003 (8) | 0.0289 (6) | |
H19 | −0.2120 | −0.1649 | 0.9597 | 0.035* | |
C20 | −0.0099 (5) | −0.3190 (2) | 0.95994 (9) | 0.0295 (6) | |
H20 | −0.1105 | −0.3710 | 0.9760 | 0.035* | |
C21 | 0.1993 (5) | −0.3631 (2) | 0.94579 (9) | 0.0291 (7) | |
C22 | 0.3478 (5) | −0.2890 (2) | 0.92239 (8) | 0.0292 (7) | |
H22 | 0.4916 | −0.3209 | 0.9131 | 0.035* | |
C23 | 0.2838 (5) | −0.1665 (2) | 0.91249 (8) | 0.0263 (6) | |
H23 | 0.3841 | −0.1148 | 0.8962 | 0.032* |