x | y | z | Uiso*/Ueq | ||
P1 | 0.46337 (9) | 0.13395 (7) | 0.54974 (7) | 0.0247 (2) | |
O1 | 0.2783 (3) | 0.1230 (4) | 0.2325 (3) | 0.0450 (7) | |
O2 | 0.4313 (3) | 0.2739 (3) | 0.5441 (3) | 0.0352 (6) | |
C1 | 0.4309 (5) | 0.1015 (3) | 0.2672 (3) | 0.0328 (8) | |
C2 | 0.5430 (4) | 0.0741 (4) | 0.4198 (3) | 0.0286 (7) | |
H2A | 0.6592 | 0.1108 | 0.4399 | 0.034* | |
H2B | 0.5572 | −0.0192 | 0.4317 | 0.034* | |
C3 | 0.5199 (5) | 0.0970 (4) | 0.1613 (4) | 0.0403 (9) | |
C4 | 0.3850 (8) | 0.0965 (11) | 0.0140 (5) | 0.105 (4) | |
H4A | 0.3118 | 0.0210 | 0.0006 | 0.157* | |
H4B | 0.4422 | 0.0952 | −0.0536 | 0.157* | |
H4C | 0.3133 | 0.1731 | −0.0008 | 0.157* | |
C5 | 0.6294 (11) | 0.2154 (7) | 0.1830 (7) | 0.090 (3) | |
H5A | 0.5596 | 0.2900 | 0.1842 | 0.135* | |
H5B | 0.6712 | 0.2237 | 0.1062 | 0.135* | |
H5C | 0.7284 | 0.2094 | 0.2726 | 0.135* | |
C6 | 0.6318 (9) | −0.0220 (7) | 0.1848 (6) | 0.0713 (17) | |
H6A | 0.7288 | −0.0159 | 0.2757 | 0.107* | |
H6B | 0.6765 | −0.0295 | 0.1096 | 0.107* | |
H6C | 0.5619 | −0.0970 | 0.1842 | 0.107* | |
C7 | 0.6358 (4) | 0.0881 (4) | 0.7129 (3) | 0.0280 (7) | |
C8 | 0.7278 (5) | 0.1814 (4) | 0.8067 (4) | 0.0400 (9) | |
H8 | 0.6982 | 0.2684 | 0.7865 | 0.048* | |
C9 | 0.8634 (5) | 0.1477 (6) | 0.9304 (4) | 0.0518 (12) | |
H9 | 0.9264 | 0.2117 | 0.9946 | 0.062* | |
C10 | 0.9069 (5) | 0.0207 (5) | 0.9603 (4) | 0.0485 (11) | |
H10 | 0.9994 | −0.0023 | 1.0449 | 0.058* | |
C11 | 0.8157 (5) | −0.0721 (5) | 0.8669 (4) | 0.0459 (10) | |
H11 | 0.8455 | −0.1590 | 0.8873 | 0.055* | |
C12 | 0.6802 (4) | −0.0389 (4) | 0.7431 (4) | 0.0341 (8) | |
H12 | 0.6178 | −0.1031 | 0.6790 | 0.041* | |
C13 | 0.2784 (4) | 0.0408 (4) | 0.5431 (3) | 0.0270 (6) | |
C14 | 0.2209 (5) | −0.0666 (4) | 0.4600 (4) | 0.0399 (9) | |
H14 | 0.2786 | −0.0945 | 0.4012 | 0.048* | |
C15 | 0.0789 (6) | −0.1332 (5) | 0.4632 (5) | 0.0486 (11) | |
H15 | 0.0387 | −0.2059 | 0.4051 | 0.058* | |
C16 | −0.0046 (5) | −0.0952 (5) | 0.5495 (5) | 0.0462 (10) | |
H16 | −0.1014 | −0.1416 | 0.5513 | 0.055* | |
C17 | 0.0532 (5) | 0.0105 (4) | 0.6328 (4) | 0.0422 (9) | |
H17 | −0.0035 | 0.0366 | 0.6930 | 0.051* | |
C18 | 0.1936 (5) | 0.0793 (4) | 0.6298 (4) | 0.0337 (7) | |
H18 | 0.2320 | 0.1528 | 0.6870 | 0.040* |