x | y | z | Uiso*/Ueq | ||
Cl | 0.27901 (16) | 0.58276 (8) | 0.10729 (14) | 0.0679 (4) | |
O1 | 0.3056 (3) | 0.60776 (15) | 0.5453 (3) | 0.0480 (7) | |
O2 | 0.1798 (3) | 0.50211 (15) | 0.6779 (3) | 0.0491 (7) | |
O3 | −0.2908 (4) | 0.74808 (19) | 0.7610 (4) | 0.0711 (10) | |
O4 | −0.2715 (3) | 0.62804 (17) | 0.8531 (4) | 0.0578 (8) | |
C1 | 0.4233 (6) | 0.5519 (3) | 0.2872 (5) | 0.0580 (12) | |
H1A | 0.3693 | 0.5170 | 0.3424 | 0.070* | |
H1B | 0.5119 | 0.5239 | 0.2627 | 0.070* | |
C2 | 0.4929 (5) | 0.6187 (3) | 0.3921 (5) | 0.0554 (11) | |
H2A | 0.5409 | 0.6546 | 0.3337 | 0.066* | |
H2B | 0.5803 | 0.6000 | 0.4807 | 0.066* | |
C3 | 0.3697 (5) | 0.6615 (2) | 0.4548 (5) | 0.0532 (11) | |
H3A | 0.4223 | 0.7043 | 0.5207 | 0.064* | |
H3B | 0.2819 | 0.6817 | 0.3684 | 0.064* | |
C4 | 0.1809 (5) | 0.6315 (2) | 0.6028 (4) | 0.0401 (9) | |
C5 | 0.1190 (5) | 0.7053 (2) | 0.5911 (5) | 0.0488 (10) | |
H5A | 0.1656 | 0.7438 | 0.5444 | 0.059* | |
C6 | −0.0123 (5) | 0.7224 (2) | 0.6489 (5) | 0.0489 (10) | |
H6A | −0.0547 | 0.7722 | 0.6390 | 0.059* | |
C7 | −0.0814 (5) | 0.6657 (2) | 0.7216 (4) | 0.0424 (9) | |
C8 | −0.0174 (5) | 0.5915 (2) | 0.7335 (4) | 0.0404 (9) | |
H8A | −0.0638 | 0.5533 | 0.7811 | 0.048* | |
C9 | 0.1129 (4) | 0.5731 (2) | 0.6768 (4) | 0.0378 (8) | |
C10 | 0.1078 (5) | 0.4411 (2) | 0.7422 (5) | 0.0495 (10) | |
H10A | 0.1631 | 0.3937 | 0.7342 | 0.074* | |
H10B | −0.0061 | 0.4366 | 0.6849 | 0.074* | |
H10C | 0.1176 | 0.4517 | 0.8511 | 0.074* | |
C11 | −0.2236 (5) | 0.6865 (2) | 0.7781 (5) | 0.0478 (10) | |
C12 | −0.4095 (6) | 0.6411 (3) | 0.9117 (6) | 0.0670 (14) | |
H12A | −0.4308 | 0.5957 | 0.9646 | 0.101* | |
H12B | −0.5039 | 0.6531 | 0.8255 | 0.101* | |
H12C | −0.3865 | 0.6835 | 0.9846 | 0.101* |