x | y | z | Uiso*/Ueq | ||
C1 | 0.82827 (15) | −0.0032 (5) | −0.05196 (15) | 0.0486 (7) | |
C2 | 0.87296 (15) | −0.1135 (5) | −0.09848 (16) | 0.0524 (7) | |
H2 | 0.8585 | −0.2535 | −0.1167 | 0.063* | |
C3 | 0.93831 (17) | −0.0187 (6) | −0.11798 (18) | 0.0617 (8) | |
C4 | 0.96089 (19) | 0.1871 (6) | −0.0928 (2) | 0.0732 (9) | |
H4 | 1.0054 | 0.2501 | −0.1058 | 0.088* | |
C5 | 0.9159 (2) | 0.2994 (6) | −0.0476 (2) | 0.0802 (10) | |
H5 | 0.9301 | 0.4405 | −0.0307 | 0.096* | |
C6 | 0.85060 (18) | 0.2070 (5) | −0.02714 (19) | 0.0652 (8) | |
H6 | 0.8213 | 0.2855 | 0.0035 | 0.078* | |
C7 | 0.76114 (15) | −0.1165 (5) | −0.03071 (15) | 0.0515 (7) | |
H7 | 0.7557 | −0.2622 | −0.0462 | 0.062* | |
C8 | 0.70704 (15) | −0.0416 (5) | 0.00740 (15) | 0.0515 (7) | |
H8 | 0.7078 | 0.1040 | 0.0232 | 0.062* | |
C9 | 0.64549 (16) | −0.1899 (5) | 0.02472 (15) | 0.0498 (7) | |
C10 | 0.58642 (15) | −0.1109 (4) | 0.07094 (14) | 0.0428 (6) | |
C11 | 0.58854 (15) | 0.0934 (4) | 0.10662 (15) | 0.0488 (7) | |
H11 | 0.6285 | 0.1902 | 0.1017 | 0.059* | |
C12 | 0.53180 (15) | 0.1548 (5) | 0.14945 (15) | 0.0475 (6) | |
H12 | 0.5344 | 0.2910 | 0.1740 | 0.057* | |
C13 | 0.47135 (15) | 0.0137 (4) | 0.15568 (14) | 0.0429 (6) | |
C14 | 0.46980 (17) | −0.1910 (4) | 0.12070 (17) | 0.0551 (7) | |
H14 | 0.4299 | −0.2884 | 0.1254 | 0.066* | |
C15 | 0.52654 (16) | −0.2513 (5) | 0.07917 (16) | 0.0525 (7) | |
H15 | 0.5246 | −0.3893 | 0.0561 | 0.063* | |
C16 | 0.37984 (14) | 0.2508 (4) | 0.18899 (14) | 0.0441 (6) | |
H16 | 0.4007 | 0.3531 | 0.1586 | 0.053* | |
C17 | 0.31366 (15) | 0.3162 (4) | 0.22540 (14) | 0.0435 (6) | |
C18 | 0.28087 (16) | 0.5218 (5) | 0.20967 (16) | 0.0515 (7) | |
H18 | 0.3023 | 0.6187 | 0.1777 | 0.062* | |
C19 | 0.21688 (17) | 0.5833 (5) | 0.24099 (18) | 0.0591 (8) | |
H19 | 0.1958 | 0.7223 | 0.2307 | 0.071* | |
C20 | 0.18380 (17) | 0.4406 (5) | 0.28750 (18) | 0.0598 (8) | |
H20 | 0.1405 | 0.4819 | 0.3087 | 0.072* | |
C21 | 0.21605 (16) | 0.2352 (5) | 0.30206 (16) | 0.0522 (7) | |
C22 | 0.28056 (15) | 0.1702 (4) | 0.27221 (14) | 0.0456 (6) | |
H22 | 0.3017 | 0.0315 | 0.2831 | 0.055* | |
Cl1 | 0.99327 (5) | −0.1679 (2) | −0.17471 (6) | 0.0968 (4) | |
Cl2 | 0.17205 (5) | 0.05098 (15) | 0.35786 (5) | 0.0771 (3) | |
N1 | 0.40982 (12) | 0.0634 (4) | 0.19679 (12) | 0.0468 (5) | |
O1 | 0.64304 (12) | −0.3797 (4) | 0.00131 (13) | 0.0693 (6) |