x | y | z | Uiso*/Ueq | ||
C1 | 0.6307 (3) | 0.4082 (10) | 0.0245 (3) | 0.0936 (17) | |
H1A | 0.6052 | 0.4038 | −0.0273 | 0.112* | |
C2 | 0.6600 (4) | 0.2480 (8) | 0.0637 (3) | 0.0916 (16) | |
H2A | 0.6549 | 0.1369 | 0.0383 | 0.110* | |
C3 | 0.6968 (3) | 0.2534 (6) | 0.1407 (2) | 0.0710 (13) | |
H3A | 0.7158 | 0.1459 | 0.1676 | 0.085* | |
C4 | 0.7053 (2) | 0.4206 (5) | 0.17766 (19) | 0.0473 (9) | |
C5 | 0.6766 (3) | 0.5794 (6) | 0.1372 (2) | 0.0576 (10) | |
H5A | 0.6830 | 0.6915 | 0.1619 | 0.069* | |
C6 | 0.6387 (3) | 0.5729 (8) | 0.0607 (3) | 0.0816 (14) | |
H6A | 0.6187 | 0.6799 | 0.0338 | 0.098* | |
C7 | 0.7408 (2) | 0.4406 (4) | 0.26239 (18) | 0.0404 (8) | |
H7A | 0.7627 | 0.5672 | 0.2719 | 0.049* | |
C8 | 0.6648 (2) | 0.4179 (5) | 0.30018 (19) | 0.0444 (9) | |
C9 | 0.6408 (3) | 0.5678 (5) | 0.3367 (2) | 0.0572 (10) | |
H9A | 0.6747 | 0.6758 | 0.3413 | 0.069* | |
C10 | 0.5665 (3) | 0.5563 (7) | 0.3663 (2) | 0.0754 (13) | |
H10A | 0.5506 | 0.6578 | 0.3903 | 0.090* | |
C11 | 0.5164 (3) | 0.4010 (8) | 0.3610 (2) | 0.0766 (14) | |
H11A | 0.4664 | 0.3957 | 0.3810 | 0.092* | |
C12 | 0.5400 (3) | 0.2510 (7) | 0.3258 (2) | 0.0729 (13) | |
H12A | 0.5056 | 0.1437 | 0.3222 | 0.087* | |
C13 | 0.6142 (3) | 0.2571 (6) | 0.2956 (2) | 0.0606 (11) | |
H13A | 0.6300 | 0.1541 | 0.2724 | 0.073* | |
C14 | 0.9003 (2) | 0.3678 (4) | 0.26354 (17) | 0.0410 (8) | |
H14A | 0.9148 | 0.4970 | 0.2721 | 0.049* | |
H14B | 0.8801 | 0.3476 | 0.2097 | 0.049* | |
C15 | 0.9859 (2) | 0.2566 (5) | 0.29714 (17) | 0.0432 (9) | |
H15A | 0.9727 | 0.1281 | 0.2854 | 0.052* | |
H15B | 1.0342 | 0.2941 | 0.2751 | 0.052* | |
C16 | 0.9435 (2) | 0.2275 (5) | 0.41299 (18) | 0.0458 (9) | |
H16A | 0.9638 | 0.2468 | 0.4669 | 0.055* | |
H16B | 0.9295 | 0.0983 | 0.4039 | 0.055* | |
C17 | 0.8575 (2) | 0.3387 (5) | 0.37957 (17) | 0.0464 (9) | |
H17A | 0.8093 | 0.2996 | 0.4015 | 0.056* | |
H17B | 0.8705 | 0.4668 | 0.3921 | 0.056* | |
C18 | 1.1074 (3) | 0.1783 (5) | 0.4132 (2) | 0.0553 (10) | |
H18A | 1.1505 | 0.2061 | 0.3845 | 0.066* | |
H18B | 1.0950 | 0.0476 | 0.4091 | 0.066* | |
C19 | 1.1516 (3) | 0.2259 (6) | 0.4946 (2) | 0.0720 (13) | |
H19A | 1.2073 | 0.1561 | 0.5132 | 0.108* | |
H19B | 1.1095 | 0.1975 | 0.5234 | 0.108* | |
H19C | 1.1660 | 0.3543 | 0.4989 | 0.108* | |
Cl1 | 1.05758 (8) | 0.68359 (12) | 0.40163 (5) | 0.0639 (4) | |
Cl2 | 0.80657 (8) | −0.09301 (13) | 0.27873 (7) | 0.0756 (4) | |
H1B | 0.807 (2) | 0.193 (5) | 0.2866 (18) | 0.059 (11)* | |
H2B | 1.033 (2) | 0.392 (5) | 0.3885 (19) | 0.056 (11)* | |
N1 | 0.82357 (19) | 0.3192 (4) | 0.29633 (14) | 0.0370 (7) | |
N2 | 1.0189 (2) | 0.2800 (4) | 0.37993 (15) | 0.0401 (7) |