x | y | z | Uiso*/Ueq | ||
C1 | 0.7169 (2) | 0.18654 (10) | 0.68618 (13) | 0.0143 (4) | |
C2 | 0.6544 (2) | 0.17259 (10) | 0.77738 (14) | 0.0136 (4) | |
H2 | 0.6782 | 0.2123 | 0.8195 | 0.016* | |
C3 | 0.7047 (2) | 0.10935 (10) | 0.83870 (13) | 0.0131 (4) | |
H3 | 0.7884 | 0.0905 | 0.8158 | 0.016* | |
C4 | 0.5888 (2) | 0.05350 (10) | 0.82692 (14) | 0.0157 (5) | |
H4 | 0.5005 | 0.0711 | 0.8454 | 0.019* | |
C5 | 0.6453 (2) | −0.00784 (10) | 0.88896 (14) | 0.0181 (5) | |
H5A | 0.7279 | −0.0275 | 0.8671 | 0.022* | |
H5B | 0.5695 | −0.0422 | 0.8827 | 0.022* | |
C6 | 0.6915 (2) | 0.01330 (11) | 0.99391 (14) | 0.0192 (5) | |
H6A | 0.6073 | 0.0301 | 1.0169 | 0.023* | |
H6B | 0.7295 | −0.026 | 1.0325 | 0.023* | |
C7 | 0.8069 (2) | 0.06816 (10) | 1.00523 (13) | 0.0155 (4) | |
H7 | 0.8952 | 0.0491 | 0.9884 | 0.019* | |
C8 | 0.7615 (2) | 0.13268 (10) | 0.94372 (14) | 0.0135 (4) | |
C9 | 0.9051 (2) | 0.17425 (10) | 0.94939 (14) | 0.0164 (5) | |
H9B | 0.9393 | 0.1848 | 1.017 | 0.02* | |
H9A | 0.9752 | 0.1424 | 0.9326 | 0.02* | |
C10 | 0.9238 (2) | 0.24112 (10) | 0.89436 (14) | 0.0166 (5) | |
H10 | 1.0181 | 0.259 | 0.9281 | 0.02* | |
C11 | 0.9370 (2) | 0.24049 (10) | 0.78491 (14) | 0.0172 (5) | |
H11 | 1.0036 | 0.2782 | 0.7801 | 0.021* | |
C12 | 1.0208 (2) | 0.17776 (11) | 0.76571 (14) | 0.0174 (5) | |
C13 | 0.9588 (2) | 0.12865 (10) | 0.70699 (14) | 0.0167 (5) | |
H13 | 1.0156 | 0.0911 | 0.6989 | 0.02* | |
C14 | 0.8037 (2) | 0.12964 (10) | 0.65293 (14) | 0.0154 (4) | |
H14A | 0.7581 | 0.0864 | 0.6617 | 0.018* | |
H14B | 0.8021 | 0.1351 | 0.5848 | 0.018* | |
C15 | 0.8037 (2) | 0.25338 (10) | 0.69973 (14) | 0.0154 (5) | |
C16 | 0.7084 (2) | 0.31455 (10) | 0.71360 (14) | 0.0191 (5) | |
H16B | 0.6447 | 0.3255 | 0.6535 | 0.029* | |
H16C | 0.7695 | 0.353 | 0.7355 | 0.029* | |
H16A | 0.6512 | 0.3035 | 0.7604 | 0.029* | |
C17 | 0.8650 (2) | 0.27030 (11) | 0.60997 (15) | 0.0209 (5) | |
H17A | 0.9377 | 0.2373 | 0.6029 | 0.031* | |
H17B | 0.908 | 0.3149 | 0.6168 | 0.031* | |
H17C | 0.7874 | 0.2693 | 0.5541 | 0.031* | |
C18 | 1.1796 (2) | 0.17407 (12) | 0.81421 (16) | 0.0242 (5) | |
H18B | 1.2193 | 0.1311 | 0.7998 | 0.036* | |
H18C | 1.1887 | 0.1783 | 0.8825 | 0.036* | |
H18A | 1.232 | 0.2104 | 0.7912 | 0.036* | |
C19 | 0.6461 (2) | 0.17224 (11) | 0.98432 (14) | 0.0176 (5) | |
H19C | 0.6149 | 0.2111 | 0.9444 | 0.026* | |
H19A | 0.6873 | 0.1871 | 1.0485 | 0.026* | |
H19B | 0.5639 | 0.1432 | 0.9854 | 0.026* | |
O20 | 0.49732 (15) | 0.17278 (7) | 0.74303 (9) | 0.0176 (3) | |
C21 | 0.4646 (2) | 0.18489 (10) | 0.64927 (15) | 0.0178 (5) | |
O22 | 0.58327 (14) | 0.19463 (7) | 0.61213 (9) | 0.0170 (3) | |
O23 | 0.34190 (16) | 0.18696 (8) | 0.60281 (10) | 0.0247 (4) | |
O24 | 0.84116 (15) | 0.09012 (7) | 1.10583 (9) | 0.0168 (3) | |
C25 | 0.9381 (2) | 0.05274 (10) | 1.16731 (14) | 0.0154 (4) | |
O26 | 1.00007 (16) | 0.00371 (7) | 1.14311 (10) | 0.0237 (4) | |
C27 | 0.9612 (2) | 0.07873 (10) | 1.26731 (14) | 0.0153 (4) | |
C28 | 0.8754 (2) | 0.13006 (11) | 1.29508 (14) | 0.0194 (5) | |
H28 | 0.7979 | 0.1484 | 1.2508 | 0.023* | |
C29 | 0.9062 (2) | 0.15358 (12) | 1.38896 (15) | 0.0252 (5) | |
H29 | 0.8491 | 0.1878 | 1.4077 | 0.03* | |
C30 | 1.0214 (2) | 0.12650 (11) | 1.45491 (15) | 0.0231 (5) | |
H30 | 1.0417 | 0.1428 | 1.5178 | 0.028* | |
C31 | 1.1063 (2) | 0.07552 (11) | 1.42812 (15) | 0.0227 (5) | |
H31 | 1.1832 | 0.0571 | 1.4728 | 0.027* | |
C32 | 1.0765 (2) | 0.05194 (10) | 1.33430 (14) | 0.0187 (5) | |
H32 | 1.1342 | 0.0179 | 1.316 | 0.022* | |
O33 | 0.82270 (15) | 0.29278 (7) | 0.90665 (10) | 0.0200 (3) | |
H33 | 0.8271 | 0.2993 | 0.9642 | 0.03* | |
O34 | 0.55698 (14) | 0.03544 (7) | 0.72690 (9) | 0.0188 (3) | |
C35 | 0.4129 (2) | 0.01081 (12) | 0.69395 (15) | 0.0232 (5) | |
H35A | 0.3957 | −0.0281 | 0.7322 | 0.028* | |
H35B | 0.343 | 0.046 | 0.7007 | 0.028* | |
O36 | 0.39527 (17) | −0.00779 (8) | 0.59939 (11) | 0.0289 (4) | |
C37 | 0.4715 (3) | −0.06965 (12) | 0.58715 (17) | 0.0315 (6) | |
H37C | 0.5739 | −0.0637 | 0.6126 | 0.047* | |
H37A | 0.4566 | −0.0805 | 0.5199 | 0.047* | |
H37B | 0.4349 | −0.1061 | 0.6207 | 0.047* |