x | y | z | Uiso*/Ueq | Occ. (<1) | |
O1 | 0.50718 (15) | 0.77955 (19) | 0.49310 (6) | 0.0560 (5) | |
C2 | 0.6021 (2) | 0.8610 (3) | 0.51636 (10) | 0.0490 (6) | |
C3 | 0.64762 (19) | 0.8378 (2) | 0.57594 (9) | 0.0440 (6) | |
C4 | 0.5962 (2) | 0.7392 (2) | 0.60580 (9) | 0.0456 (6) | |
C5 | 0.4958 (2) | 0.6556 (3) | 0.58143 (10) | 0.0483 (6) | |
C6 | 0.4409 (2) | 0.5503 (3) | 0.61028 (12) | 0.0588 (7) | |
H6 | 0.4684 | 0.5327 | 0.6485 | 0.071* | |
C7 | 0.3471 (2) | 0.4720 (3) | 0.58354 (14) | 0.0675 (8) | |
C8 | 0.3087 (2) | 0.5014 (3) | 0.52619 (15) | 0.0735 (9) | |
H8 | 0.2451 | 0.4500 | 0.5075 | 0.088* | |
C9 | 0.3612 (2) | 0.6034 (3) | 0.49630 (12) | 0.0655 (8) | |
H9 | 0.3340 | 0.6203 | 0.4580 | 0.079* | |
C10 | 0.4550 (2) | 0.6802 (3) | 0.52418 (10) | 0.0512 (6) | |
O11 | 0.64195 (16) | 0.9454 (2) | 0.48534 (7) | 0.0649 (5) | |
C12 | 0.75139 (19) | 0.9241 (3) | 0.60261 (9) | 0.0442 (6) | |
H12 | 0.7380 | 1.0154 | 0.5872 | 0.053* | |
C13 | 0.7374 (2) | 0.9318 (3) | 0.66888 (9) | 0.0447 (6) | |
C14 | 0.7351 (2) | 0.7859 (3) | 0.68848 (9) | 0.0491 (6) | |
O15 | 0.64021 (15) | 0.70590 (17) | 0.66098 (6) | 0.0538 (4) | |
C16 | 0.2891 (3) | 0.3579 (3) | 0.61477 (16) | 0.0964 (11) | |
H16A | 0.2461 | 0.2984 | 0.5873 | 0.145* | 0.50 |
H16B | 0.2310 | 0.3938 | 0.6399 | 0.145* | 0.50 |
H16C | 0.3533 | 0.3087 | 0.6370 | 0.145* | 0.50 |
H16D | 0.3075 | 0.3689 | 0.6555 | 0.145* | 0.50 |
H16E | 0.3226 | 0.2735 | 0.6029 | 0.145* | 0.50 |
H16F | 0.2003 | 0.3585 | 0.6058 | 0.145* | 0.50 |
C17 | 0.8802 (2) | 0.8790 (3) | 0.58752 (9) | 0.0493 (6) | |
C18 | 0.9676 (2) | 0.9762 (3) | 0.57662 (11) | 0.0684 (8) | |
H18 | 0.9468 | 1.0670 | 0.5789 | 0.082* | |
C19 | 1.0865 (3) | 0.9398 (4) | 0.56224 (12) | 0.0835 (10) | |
H19 | 1.1443 | 1.0064 | 0.5552 | 0.100* | |
C20 | 1.1177 (3) | 0.8095 (5) | 0.55848 (13) | 0.0848 (11) | |
H20 | 1.1971 | 0.7857 | 0.5490 | 0.102* | |
C21 | 1.0328 (3) | 0.7111 (4) | 0.56862 (13) | 0.0832 (10) | |
H21 | 1.0546 | 0.6207 | 0.5658 | 0.100* | |
C22 | 0.9136 (2) | 0.7461 (3) | 0.58313 (11) | 0.0633 (7) | |
H22 | 0.8563 | 0.6787 | 0.5899 | 0.076* | |
C23 | 0.8437 (2) | 1.0061 (3) | 0.70278 (10) | 0.0583 (7) | |
H23A | 0.8475 | 1.0973 | 0.6891 | 0.087* | |
H23B | 0.9212 | 0.9613 | 0.6977 | 0.087* | |
H23C | 0.8294 | 1.0067 | 0.7429 | 0.087* | |
N24 | 0.61573 (15) | 0.9977 (2) | 0.67699 (7) | 0.0444 (5) | |
C25 | 0.5853 (2) | 1.1225 (3) | 0.64515 (11) | 0.0613 (7) | |
H25A | 0.6605 | 1.1728 | 0.6412 | 0.092* | |
H25B | 0.5290 | 1.1756 | 0.6657 | 0.092* | |
H25C | 0.5467 | 1.1007 | 0.6076 | 0.092* | |
C26 | 0.5548 (2) | 0.9634 (3) | 0.72315 (10) | 0.0490 (6) | |
O27 | 0.59794 (16) | 0.8770 (2) | 0.75754 (7) | 0.0659 (5) | |
C28 | 0.4305 (2) | 1.0259 (3) | 0.73030 (10) | 0.0502 (6) | |
C29 | 0.3308 (2) | 1.0086 (3) | 0.68954 (12) | 0.0716 (8) | |
H29 | 0.3414 | 0.9615 | 0.6558 | 0.086* | |
C30 | 0.2151 (2) | 1.0614 (4) | 0.69901 (14) | 0.0843 (10) | |
H30 | 0.1477 | 1.0472 | 0.6719 | 0.101* | |
C31 | 0.1984 (3) | 1.1333 (4) | 0.74701 (14) | 0.0807 (9) | |
H31 | 0.1206 | 1.1700 | 0.7526 | 0.097* | |
C32 | 0.2965 (3) | 1.1516 (4) | 0.78720 (13) | 0.0806 (9) | |
H32 | 0.2856 | 1.2013 | 0.8203 | 0.097* | |
C33 | 0.4116 (2) | 1.0973 (3) | 0.77930 (11) | 0.0657 (8) | |
H33 | 0.4773 | 1.1091 | 0.8075 | 0.079* | |
O34 | 0.81109 (15) | 0.7302 (2) | 0.72014 (7) | 0.0637 (5) | |
C34 | 0.5741 (5) | 0.8527 (5) | 0.8947 (2) | 0.1397 (17) | |
H34A | 0.5325 | 0.7866 | 0.8698 | 0.210* | |
H34B | 0.5214 | 0.9305 | 0.8969 | 0.210* | |
H34C | 0.5915 | 0.8150 | 0.9325 | 0.210* | |
O35 | 0.6784 (3) | 0.8881 (7) | 0.87417 (13) | 0.208 (2) | |
H35 | 0.6675 | 0.8947 | 0.8390 | 0.312* |