x | y | z | Uiso*/Ueq | ||
C1 | 0.2617 (3) | 0.54731 (16) | −0.00655 (10) | 0.0574 (5) | |
C2 | 0.2444 (3) | 0.53305 (18) | −0.06568 (10) | 0.0627 (5) | |
H2 | 0.2589 | 0.5966 | −0.0896 | 0.075* | |
C3 | 0.2057 (3) | 0.42467 (17) | −0.08943 (10) | 0.0603 (5) | |
C4 | 0.1803 (3) | 0.33296 (17) | −0.05109 (10) | 0.0605 (5) | |
C5 | 0.1900 (3) | 0.35418 (17) | 0.00869 (10) | 0.0598 (5) | |
C11 | 0.3096 (3) | 0.66136 (17) | 0.02012 (10) | 0.0580 (5) | |
C12 | 0.2778 (3) | 0.6854 (2) | 0.07626 (11) | 0.0704 (6) | |
H12 | 0.2292 | 0.6283 | 0.0985 | 0.085* | |
C13 | 0.3173 (4) | 0.7936 (2) | 0.10002 (12) | 0.0806 (7) | |
H13 | 0.2941 | 0.8091 | 0.1379 | 0.097* | |
C14 | 0.3902 (4) | 0.8774 (2) | 0.06809 (14) | 0.0895 (8) | |
H14 | 0.4130 | 0.9510 | 0.0835 | 0.107* | |
C15 | 0.4297 (5) | 0.8525 (2) | 0.01292 (14) | 0.1014 (10) | |
H15 | 0.4846 | 0.9085 | −0.0083 | 0.122* | |
C16 | 0.3893 (4) | 0.74587 (19) | −0.01150 (12) | 0.0785 (7) | |
H16 | 0.4153 | 0.7305 | −0.0491 | 0.094* | |
C31 | 0.1913 (3) | 0.41209 (18) | −0.15290 (10) | 0.0613 (5) | |
C32 | 0.0952 (3) | 0.49362 (19) | −0.18691 (11) | 0.0721 (6) | |
H32 | 0.0370 | 0.5533 | −0.1692 | 0.087* | |
C33 | 0.0853 (3) | 0.4870 (2) | −0.24595 (12) | 0.0762 (7) | |
H33 | 0.0199 | 0.5413 | −0.2680 | 0.091* | |
C34 | 0.1727 (3) | 0.3996 (2) | −0.27214 (11) | 0.0714 (6) | |
C35 | 0.2690 (3) | 0.3182 (2) | −0.23988 (12) | 0.0763 (7) | |
H35 | 0.3275 | 0.2592 | −0.2579 | 0.092* | |
C36 | 0.2779 (3) | 0.3248 (2) | −0.18073 (11) | 0.0707 (6) | |
H36 | 0.3430 | 0.2698 | −0.1590 | 0.085* | |
C41 | 0.1423 (3) | 0.21813 (19) | −0.07380 (11) | 0.0692 (6) | |
C51 | 0.1586 (3) | 0.26723 (17) | 0.05255 (11) | 0.0630 (6) | |
C52 | 0.2163 (3) | 0.27513 (18) | 0.11280 (11) | 0.0674 (6) | |
C53 | 0.3179 (3) | 0.3535 (2) | 0.14722 (12) | 0.0778 (7) | |
H53 | 0.3638 | 0.4198 | 0.1311 | 0.093* | |
C54 | 0.3493 (4) | 0.3314 (3) | 0.20519 (13) | 0.0965 (9) | |
H54 | 0.4174 | 0.3830 | 0.2281 | 0.116* | |
C55 | 0.2800 (5) | 0.2320 (3) | 0.23029 (15) | 0.1080 (11) | |
H55 | 0.3005 | 0.2198 | 0.2697 | 0.130* | |
C56 | 0.1834 (5) | 0.1534 (3) | 0.19779 (15) | 0.1012 (10) | |
H56 | 0.1402 | 0.0867 | 0.2144 | 0.121* | |
C57 | 0.1506 (4) | 0.1750 (2) | 0.13923 (13) | 0.0793 (8) | |
C58 | 0.0637 (3) | 0.16548 (19) | 0.04622 (12) | 0.0762 (7) | |
H58 | 0.0101 | 0.1382 | 0.0116 | 0.091* | |
N1 | 0.2322 (2) | 0.46053 (14) | 0.02994 (8) | 0.0597 (4) | |
N2 | 0.1113 (3) | 0.12741 (17) | −0.09152 (11) | 0.0913 (7) | |
N3 | 0.0600 (3) | 0.11130 (17) | 0.09728 (11) | 0.0870 (7) | |
H3 | 0.0083 | 0.0462 | 0.1027 | 0.104* | |
Cl1 | 0.15880 (11) | 0.38830 (8) | −0.34663 (3) | 0.0995 (3) |