x | y | z | Uiso*/Ueq | ||
In1 | 0.231901 (11) | 0.163644 (15) | 0.585903 (16) | 0.03479 (8) | |
P1 | 0.21902 (4) | 0.33051 (6) | 0.54684 (6) | 0.03532 (19) | |
C1 | 0.14507 (16) | 0.0724 (2) | 0.5087 (2) | 0.0355 (7) | |
C2 | 0.07490 (17) | 0.0952 (2) | 0.4400 (2) | 0.0430 (8) | |
C3 | 0.02405 (18) | 0.0319 (3) | 0.3942 (3) | 0.0504 (9) | |
H3 | −0.0230 | 0.0488 | 0.3476 | 0.061* | |
C4 | 0.03963 (19) | −0.0550 (3) | 0.4142 (3) | 0.0512 (10) | |
C5 | 0.10908 (19) | −0.0781 (2) | 0.4811 (3) | 0.0466 (9) | |
H5 | 0.1210 | −0.1375 | 0.4954 | 0.056* | |
C6 | 0.16177 (17) | −0.0161 (2) | 0.5276 (2) | 0.0381 (8) | |
C7 | 0.0530 (2) | 0.1886 (3) | 0.4137 (3) | 0.0607 (11) | |
H7A | 0.0020 | 0.1922 | 0.3735 | 0.091* | |
H7B | 0.0710 | 0.2124 | 0.3695 | 0.091* | |
H7C | 0.0716 | 0.2216 | 0.4812 | 0.091* | |
C8 | −0.0172 (2) | −0.1223 (3) | 0.3645 (4) | 0.0719 (13) | |
H8A | −0.0539 | −0.1079 | 0.3803 | 0.108* | |
H8B | 0.0023 | −0.1790 | 0.3951 | 0.108* | |
H8C | −0.0369 | −0.1236 | 0.2858 | 0.108* | |
C9 | 0.23652 (17) | −0.0451 (2) | 0.5954 (3) | 0.0464 (8) | |
H9A | 0.2378 | −0.1068 | 0.6114 | 0.070* | |
H9B | 0.2595 | −0.0124 | 0.6634 | 0.070* | |
H9C | 0.2607 | −0.0350 | 0.5553 | 0.070* | |
C10 | 0.30035 (17) | 0.1564 (2) | 0.7643 (2) | 0.0394 (8) | |
C11 | 0.37154 (17) | 0.1357 (2) | 0.8185 (2) | 0.0427 (8) | |
C12 | 0.41094 (19) | 0.1333 (2) | 0.9321 (3) | 0.0512 (9) | |
H12 | 0.4590 | 0.1193 | 0.9670 | 0.061* | |
C13 | 0.3812 (2) | 0.1508 (2) | 0.9945 (3) | 0.0541 (10) | |
C14 | 0.3113 (2) | 0.1726 (2) | 0.9417 (3) | 0.0520 (10) | |
H14 | 0.2903 | 0.1858 | 0.9834 | 0.062* | |
C15 | 0.27101 (18) | 0.1755 (2) | 0.8287 (3) | 0.0437 (8) | |
C16 | 0.40779 (19) | 0.1146 (3) | 0.7567 (3) | 0.0576 (10) | |
H16A | 0.3855 | 0.0644 | 0.7102 | 0.086* | |
H16B | 0.4569 | 0.1016 | 0.8080 | 0.086* | |
H16C | 0.4046 | 0.1642 | 0.7119 | 0.086* | |
C17 | 0.4242 (2) | 0.1459 (3) | 1.1178 (3) | 0.0770 (14) | |
H17A | 0.4729 | 0.1341 | 1.1407 | 0.115* | |
H17B | 0.4062 | 0.0994 | 1.1433 | 0.115* | |
H17C | 0.4210 | 0.2009 | 1.1488 | 0.115* | |
C18 | 0.19456 (18) | 0.1971 (3) | 0.7786 (3) | 0.0541 (10) | |
H18A | 0.1883 | 0.2598 | 0.7698 | 0.081* | |
H18B | 0.1779 | 0.1764 | 0.8260 | 0.081* | |
H18C | 0.1680 | 0.1692 | 0.7076 | 0.081* | |
C19 | 0.29184 (17) | 0.3701 (2) | 0.6794 (2) | 0.0414 (8) | |
H19A | 0.2829 | 0.3512 | 0.7371 | 0.050* | |
H19B | 0.3352 | 0.3416 | 0.6930 | 0.050* | |
C20 | 0.30422 (19) | 0.4667 (2) | 0.6901 (3) | 0.0496 (9) | |
H20A | 0.3211 | 0.4852 | 0.6421 | 0.074* | |
H20B | 0.3390 | 0.4808 | 0.7653 | 0.074* | |
H20C | 0.2605 | 0.4965 | 0.6698 | 0.074* | |
C21 | 0.14350 (17) | 0.3982 (2) | 0.5211 (3) | 0.0441 (8) | |
H21A | 0.1544 | 0.4590 | 0.5144 | 0.053* | |
H21B | 0.1031 | 0.3809 | 0.4505 | 0.053* | |
C22 | 0.12205 (18) | 0.3937 (3) | 0.6068 (3) | 0.0527 (9) | |
H22A | 0.1039 | 0.3360 | 0.6063 | 0.079* | |
H22B | 0.0859 | 0.4369 | 0.5905 | 0.079* | |
H22C | 0.1626 | 0.4053 | 0.6785 | 0.079* |