x | y | z | Uiso*/Ueq | ||
C1 | 0.56797 (16) | 0.2277 (3) | 0.75859 (13) | 0.0451 (5) | |
C2 | 0.5020 (3) | 0.0866 (3) | 0.79457 (17) | 0.0744 (8) | |
H2A | 0.433239 | 0.115432 | 0.786234 | 0.112* | |
H2B | 0.515438 | 0.071710 | 0.856159 | 0.112* | |
H2C | 0.516230 | −0.015436 | 0.763805 | 0.112* | |
C3 | 0.67756 (19) | 0.1817 (3) | 0.77738 (16) | 0.0650 (7) | |
H3A | 0.719548 | 0.274519 | 0.762469 | 0.098* | |
H3B | 0.695707 | 0.086163 | 0.742724 | 0.098* | |
H3C | 0.685618 | 0.155720 | 0.838652 | 0.098* | |
C4 | 0.55349 (14) | 0.2495 (2) | 0.65879 (12) | 0.0398 (4) | |
C5 | 0.62192 (14) | 0.3416 (3) | 0.61068 (13) | 0.0425 (5) | |
H5 | 0.674345 | 0.392670 | 0.640554 | 0.051* | |
C6 | 0.61570 (15) | 0.3610 (3) | 0.51995 (13) | 0.0442 (5) | |
C7 | 0.53582 (16) | 0.2880 (3) | 0.47460 (13) | 0.0477 (5) | |
C8 | 0.46395 (15) | 0.2017 (3) | 0.52114 (14) | 0.0470 (5) | |
C9 | 0.47444 (15) | 0.1818 (3) | 0.61219 (14) | 0.0458 (5) | |
H9 | 0.426579 | 0.120883 | 0.642407 | 0.055* | |
C10 | 0.69131 (19) | 0.4569 (3) | 0.47277 (17) | 0.0598 (6) | |
H10 | 0.683 (2) | 0.462 (3) | 0.4070 (19) | 0.073 (8)* | |
C11 | 0.37722 (19) | 0.1293 (4) | 0.4765 (2) | 0.0669 (7) | |
H11 | 0.324 (2) | 0.068 (3) | 0.5214 (17) | 0.065 (7)* | |
C12 | 0.53648 (14) | 0.3898 (3) | 0.80494 (12) | 0.0400 (5) | |
C13 | 0.44519 (15) | 0.4626 (3) | 0.78465 (13) | 0.0449 (5) | |
H13 | 0.407023 | 0.415913 | 0.739712 | 0.054* | |
C14 | 0.40839 (15) | 0.6016 (3) | 0.82828 (13) | 0.0460 (5) | |
C15 | 0.46436 (15) | 0.6737 (3) | 0.89671 (13) | 0.0421 (5) | |
C16 | 0.55783 (14) | 0.6066 (3) | 0.91700 (13) | 0.0426 (5) | |
C17 | 0.59223 (14) | 0.4663 (3) | 0.87119 (12) | 0.0422 (5) | |
H17 | 0.654434 | 0.422634 | 0.885479 | 0.051* | |
C18 | 0.31154 (19) | 0.6673 (4) | 0.80118 (17) | 0.0662 (7) | |
H18 | 0.277 (2) | 0.595 (4) | 0.755 (2) | 0.087 (9)* | |
C19 | 0.61762 (17) | 0.6814 (3) | 0.98792 (16) | 0.0571 (6) | |
H19 | 0.5921 (19) | 0.790 (3) | 1.0142 (17) | 0.067 (7)* | |
O1 | 0.36389 (14) | 0.1404 (3) | 0.39694 (14) | 0.0851 (7) | |
O2 | 0.53075 (14) | 0.3050 (3) | 0.38619 (10) | 0.0706 (5) | |
H2 | 0.479652 | 0.260776 | 0.367754 | 0.106* | |
O3 | 0.75935 (14) | 0.5285 (3) | 0.50684 (12) | 0.0779 (6) | |
O4 | 0.27133 (14) | 0.7886 (3) | 0.83289 (13) | 0.0869 (7) | |
O5 | 0.43151 (13) | 0.8023 (2) | 0.94557 (11) | 0.0565 (4) | |
H5A | 0.366 (3) | 0.834 (4) | 0.932 (2) | 0.096 (10)* | |
O6 | 0.69410 (13) | 0.6221 (3) | 1.01611 (13) | 0.0749 (6) |