x | y | z | Uiso*/Ueq | ||
N1 | 0.36051 (17) | 0.62727 (15) | 0.3017 (3) | 0.0249 (5) | |
C2 | 0.3856 (2) | 0.71107 (18) | 0.2369 (5) | 0.0302 (6) | |
H2A | 0.3597 | 0.7197 | 0.1138 | 0.036* | |
H2B | 0.4546 | 0.7163 | 0.2299 | 0.036* | |
C3 | 0.3470 (2) | 0.77682 (17) | 0.3641 (4) | 0.0302 (6) | |
H3A | 0.3686 | 0.8328 | 0.3249 | 0.036* | |
H3B | 0.2777 | 0.7762 | 0.3590 | 0.036* | |
N4 | 0.37766 (17) | 0.76146 (14) | 0.5509 (4) | 0.0265 (5) | |
C5 | 0.3658 (2) | 0.67513 (15) | 0.6138 (4) | 0.0247 (5) | |
H5A | 0.2984 | 0.6633 | 0.6317 | 0.030* | |
H5B | 0.3979 | 0.6679 | 0.7317 | 0.030* | |
C6 | 0.40582 (18) | 0.61456 (18) | 0.4776 (4) | 0.0243 (6) | |
H6A | 0.4742 | 0.6236 | 0.4659 | 0.029* | |
H6B | 0.3953 | 0.5564 | 0.5193 | 0.029* | |
C11 | 0.3880 (2) | 0.5620 (2) | 0.1720 (4) | 0.0320 (7) | |
H11A | 0.4569 | 0.5628 | 0.1566 | 0.038* | |
H11B | 0.3592 | 0.5740 | 0.0526 | 0.038* | |
O11 | 0.26117 (18) | 0.25056 (13) | 0.4272 (4) | 0.0445 (6) | |
C12 | 0.1638 (3) | 0.2617 (2) | 0.3896 (6) | 0.0426 (8) | |
H12A | 0.1431 | 0.2208 | 0.2971 | 0.051* | |
H12B | 0.1266 | 0.2526 | 0.5011 | 0.051* | |
O13 | 0.15012 (16) | 0.34454 (15) | 0.3247 (4) | 0.0436 (6) | |
C3A | 0.2382 (2) | 0.37818 (18) | 0.3049 (5) | 0.0295 (6) | |
C14 | 0.2621 (2) | 0.45542 (17) | 0.2400 (4) | 0.0299 (6) | |
H14 | 0.2157 | 0.4937 | 0.1993 | 0.036* | |
C15 | 0.35761 (19) | 0.47614 (18) | 0.2356 (4) | 0.0276 (6) | |
C16 | 0.4231 (2) | 0.4189 (2) | 0.2983 (4) | 0.0309 (6) | |
H16 | 0.4875 | 0.4339 | 0.2961 | 0.037* | |
C17 | 0.3983 (2) | 0.34019 (19) | 0.3646 (5) | 0.0336 (7) | |
H17 | 0.4438 | 0.3015 | 0.4067 | 0.040* | |
C7A | 0.3045 (2) | 0.32183 (18) | 0.3656 (4) | 0.0317 (6) | |
C47 | 0.4015 (2) | 0.82057 (17) | 0.6718 (4) | 0.0262 (6) | |
O47 | 0.41835 (17) | 0.80559 (13) | 0.8317 (3) | 0.0366 (5) | |
C41 | 0.4064 (2) | 0.91022 (16) | 0.6064 (5) | 0.0277 (6) | |
C42 | 0.3281 (2) | 0.96071 (19) | 0.5945 (6) | 0.0384 (8) | |
F42 | 0.24359 (14) | 0.92331 (12) | 0.6222 (4) | 0.0620 (8) | |
C43 | 0.3316 (3) | 1.0447 (2) | 0.5555 (7) | 0.0476 (9) | |
H43 | 0.2760 | 1.0772 | 0.5492 | 0.057* | |
C44 | 0.4181 (3) | 1.0804 (2) | 0.5258 (5) | 0.0432 (9) | |
H44 | 0.4221 | 1.1383 | 0.4980 | 0.052* | |
C45 | 0.4992 (2) | 1.03346 (19) | 0.5357 (5) | 0.0375 (8) | |
H45 | 0.5587 | 1.0584 | 0.5158 | 0.045* | |
C46 | 0.4913 (2) | 0.94955 (18) | 0.5754 (5) | 0.0303 (6) | |
F46 | 0.56966 (12) | 0.90206 (13) | 0.5843 (4) | 0.0464 (6) |