x | y | z | Uiso*/Ueq | ||
C1 | 0.0390 (2) | 0.7259 (2) | 0.4925 (3) | 0.0581 (10) | |
H1 | −0.014021 | 0.716332 | 0.501878 | 0.070* | |
C2 | 0.0662 (2) | 0.7372 (2) | 0.3863 (3) | 0.0597 (10) | |
H2 | 0.032912 | 0.733641 | 0.324888 | 0.072* | |
C3 | 0.1444 (2) | 0.7541 (2) | 0.3716 (3) | 0.0558 (9) | |
H3 | 0.164641 | 0.761427 | 0.299904 | 0.067* | |
C4 | 0.19186 (19) | 0.76002 (19) | 0.4641 (3) | 0.0451 (8) | |
C5 | 0.1594 (2) | 0.7450 (2) | 0.5683 (3) | 0.0524 (9) | |
H5 | 0.191757 | 0.746889 | 0.630959 | 0.063* | |
C6 | 0.27446 (19) | 0.78337 (18) | 0.4538 (3) | 0.0433 (8) | |
C7 | 0.3820 (2) | 0.81015 (19) | 0.3807 (3) | 0.0452 (8) | |
C8 | 0.5188 (2) | 0.8326 (2) | 0.3714 (3) | 0.0530 (9) | |
H8 | 0.557656 | 0.853590 | 0.319160 | 0.064* | |
C9 | 0.5062 (2) | 0.8898 (2) | 0.4669 (4) | 0.0575 (10) | |
H9A | 0.555879 | 0.903724 | 0.500282 | 0.069* | |
H9B | 0.481787 | 0.936913 | 0.438785 | 0.069* | |
C10 | 0.4545 (2) | 0.85180 (19) | 0.5536 (3) | 0.0484 (8) | |
C11 | 0.4295 (2) | 0.9041 (2) | 0.6485 (4) | 0.0620 (11) | |
H11A | 0.401451 | 0.947929 | 0.618728 | 0.093* | |
H11B | 0.396382 | 0.875548 | 0.698823 | 0.093* | |
H11C | 0.474656 | 0.922184 | 0.688324 | 0.093* | |
C12 | 0.53691 (18) | 0.74016 (18) | 0.5322 (3) | 0.0432 (8) | |
C13 | 0.54834 (18) | 0.75667 (19) | 0.4207 (3) | 0.0460 (8) | |
C14 | 0.5883 (2) | 0.7029 (2) | 0.3536 (3) | 0.0557 (10) | |
H14 | 0.596039 | 0.713003 | 0.277630 | 0.067* | |
C15 | 0.6162 (2) | 0.6352 (2) | 0.4004 (4) | 0.0631 (11) | |
H15 | 0.642215 | 0.599352 | 0.355389 | 0.076* | |
C16 | 0.6062 (2) | 0.6195 (2) | 0.5133 (3) | 0.0576 (10) | |
H16 | 0.625672 | 0.573495 | 0.543568 | 0.069* | |
C17 | 0.56737 (19) | 0.6719 (2) | 0.5813 (3) | 0.0471 (8) | |
C18 | 0.5850 (3) | 0.5943 (3) | 0.7453 (4) | 0.0716 (12) | |
H18A | 0.641332 | 0.593704 | 0.738080 | 0.086* | |
H18B | 0.564269 | 0.547848 | 0.709738 | 0.086* | |
C19 | 0.5622 (3) | 0.5965 (3) | 0.8665 (4) | 0.1006 (17) | |
H19A | 0.582492 | 0.551306 | 0.903941 | 0.151* | |
H19B | 0.583133 | 0.642681 | 0.900739 | 0.151* | |
H19C | 0.506407 | 0.597026 | 0.872521 | 0.151* | |
N1 | 0.08383 (17) | 0.72774 (19) | 0.5838 (3) | 0.0572 (8) | |
N2 | 0.31602 (16) | 0.80437 (15) | 0.5418 (2) | 0.0458 (7) | |
N3 | 0.38723 (15) | 0.82148 (16) | 0.4920 (2) | 0.0442 (7) | |
N4 | 0.31108 (15) | 0.78598 (17) | 0.3519 (2) | 0.0467 (7) | |
N5 | 0.44380 (16) | 0.82375 (18) | 0.3130 (2) | 0.0542 (8) | |
H5A | 0.439554 | 0.826988 | 0.241203 | 0.065* | |
O1 | 0.49588 (12) | 0.78802 (13) | 0.60565 (18) | 0.0468 (6) | |
O2 | 0.55363 (14) | 0.66252 (14) | 0.6933 (2) | 0.0567 (7) |