x | y | z | Uiso*/Ueq | ||
Cl1 | 0.86649 (5) | 1.04288 (4) | 0.25315 (3) | 0.04213 (16) | |
F1 | 1.03322 (14) | 0.02721 (16) | 0.07820 (8) | 0.0761 (5) | |
O1 | 0.56729 (11) | 0.16766 (11) | 0.17692 (7) | 0.0326 (3) | |
O2 | 0.57270 (11) | 0.31474 (12) | −0.06509 (7) | 0.0330 (3) | |
N1 | 0.70646 (12) | 0.56013 (12) | 0.13279 (7) | 0.0229 (3) | |
C1 | 0.67413 (13) | 0.47215 (14) | 0.17771 (8) | 0.0219 (3) | |
C2 | 0.64094 (13) | 0.35886 (15) | 0.15353 (8) | 0.0223 (3) | |
C3 | 0.64825 (14) | 0.31701 (14) | 0.08070 (9) | 0.0231 (3) | |
H3 | 0.5793 | 0.2681 | 0.0614 | 0.028* | |
C4 | 0.65130 (13) | 0.42790 (15) | 0.03444 (9) | 0.0231 (3) | |
C5 | 0.68642 (13) | 0.53925 (14) | 0.06063 (9) | 0.0224 (3) | |
C6 | 0.74535 (14) | 0.67913 (14) | 0.16009 (8) | 0.0228 (3) | |
C7 | 0.85853 (15) | 0.69498 (17) | 0.18908 (10) | 0.0304 (4) | |
H7 | 0.9099 | 0.6289 | 0.1895 | 0.036* | |
C8 | 0.89647 (16) | 0.80758 (18) | 0.21746 (10) | 0.0336 (4) | |
H8 | 0.9738 | 0.8194 | 0.2376 | 0.040* | |
C9 | 0.82031 (15) | 0.90184 (16) | 0.21587 (9) | 0.0278 (4) | |
C10 | 0.70815 (15) | 0.88861 (15) | 0.18595 (9) | 0.0269 (4) | |
H10 | 0.6576 | 0.9557 | 0.1844 | 0.032* | |
C11 | 0.67004 (14) | 0.77543 (15) | 0.15803 (9) | 0.0244 (3) | |
H11 | 0.5927 | 0.7642 | 0.1376 | 0.029* | |
C12 | 0.67473 (15) | 0.51183 (15) | 0.25200 (9) | 0.0263 (4) | |
H12A | 0.6074 | 0.5631 | 0.2527 | 0.032* | |
H12B | 0.7422 | 0.5631 | 0.2686 | 0.032* | |
C13 | 0.67515 (15) | 0.40361 (15) | 0.30251 (9) | 0.0264 (4) | |
C14 | 0.58278 (15) | 0.31382 (16) | 0.26947 (9) | 0.0274 (4) | |
H14A | 0.5842 | 0.2417 | 0.3006 | 0.033* | |
H14B | 0.5085 | 0.3541 | 0.2656 | 0.033* | |
C15 | 0.59618 (13) | 0.27108 (15) | 0.19831 (9) | 0.0242 (3) | |
C16 | 0.65091 (19) | 0.45153 (17) | 0.37181 (10) | 0.0365 (4) | |
H16A | 0.5787 | 0.4952 | 0.3632 | 0.055* | |
H16B | 0.7111 | 0.5077 | 0.3931 | 0.055* | |
H16C | 0.6474 | 0.3825 | 0.4035 | 0.055* | |
C17 | 0.78922 (16) | 0.33872 (18) | 0.31572 (11) | 0.0367 (4) | |
H17A | 0.8487 | 0.3977 | 0.3342 | 0.055* | |
H17B | 0.8031 | 0.3043 | 0.2717 | 0.055* | |
H17C | 0.7890 | 0.2725 | 0.3497 | 0.055* | |
C18 | 0.70364 (15) | 0.64547 (15) | 0.01412 (9) | 0.0263 (4) | |
H18A | 0.7669 | 0.6965 | 0.0386 | 0.032* | |
H18B | 0.6350 | 0.6970 | 0.0056 | 0.032* | |
C19 | 0.72913 (15) | 0.60365 (16) | −0.05647 (9) | 0.0276 (4) | |
C20 | 0.63778 (15) | 0.51338 (17) | −0.08888 (9) | 0.0293 (4) | |
H20A | 0.5663 | 0.5589 | −0.1036 | 0.035* | |
H20B | 0.6584 | 0.4777 | −0.1314 | 0.035* | |
C21 | 0.61825 (14) | 0.41026 (16) | −0.04108 (9) | 0.0264 (4) | |
C22 | 0.84573 (16) | 0.54320 (18) | −0.04596 (10) | 0.0338 (4) | |
H22A | 0.8465 | 0.4697 | −0.0168 | 0.051* | |
H22B | 0.9029 | 0.6011 | −0.0228 | 0.051* | |
H22C | 0.8622 | 0.5201 | −0.0916 | 0.051* | |
C23 | 0.72650 (17) | 0.71613 (17) | −0.10400 (10) | 0.0347 (4) | |
H23A | 0.7434 | 0.6909 | −0.1491 | 0.052* | |
H23B | 0.7829 | 0.7758 | −0.0818 | 0.052* | |
H23C | 0.6515 | 0.7537 | −0.1114 | 0.052* | |
C24 | 0.75157 (15) | 0.23635 (15) | 0.08100 (9) | 0.0262 (4) | |
C25 | 0.85885 (16) | 0.28331 (19) | 0.10536 (10) | 0.0350 (4) | |
H25 | 0.8671 | 0.3649 | 0.1227 | 0.042* | |
C26 | 0.95412 (18) | 0.2128 (2) | 0.10467 (11) | 0.0443 (5) | |
H26 | 1.0274 | 0.2449 | 0.1214 | 0.053* | |
C27 | 0.9395 (2) | 0.0961 (2) | 0.07926 (11) | 0.0480 (6) | |
C28 | 0.8360 (2) | 0.0456 (2) | 0.05529 (11) | 0.0479 (6) | |
H28 | 0.8289 | −0.0363 | 0.0382 | 0.057* | |
C29 | 0.74091 (18) | 0.11699 (17) | 0.05649 (10) | 0.0357 (4) | |
H29 | 0.6680 | 0.0834 | 0.0403 | 0.043* |