x | y | z | Uiso*/Ueq | ||
O1 | 0.53859 (10) | 0.16733 (8) | 0.92065 (7) | 0.0410 (3) | |
O2 | 0.63028 (12) | 0.27465 (8) | 0.84841 (8) | 0.0509 (3) | |
C14 | 0.44382 (14) | 0.18379 (10) | 0.74486 (11) | 0.0347 (3) | |
O5 | 0.27716 (13) | −0.06937 (8) | 0.61784 (10) | 0.0595 (4) | |
C15 | 0.36436 (14) | 0.09212 (10) | 0.73953 (10) | 0.0332 (3) | |
H15 | 0.431514 | 0.042889 | 0.734017 | 0.040* | |
O3 | 0.50815 (13) | 0.31695 (9) | 0.66833 (9) | 0.0588 (4) | |
H3 | 0.561932 | 0.325224 | 0.723781 | 0.088* | |
C9 | 0.42029 (14) | 0.11197 (10) | 0.92053 (11) | 0.0337 (3) | |
C10 | 0.32907 (15) | 0.07558 (10) | 0.83485 (11) | 0.0347 (3) | |
C7 | 0.29134 (15) | 0.04148 (11) | 1.02203 (11) | 0.0366 (4) | |
C4 | 0.27309 (15) | 0.02080 (11) | 1.11980 (11) | 0.0382 (4) | |
C19 | 0.28311 (17) | 0.11903 (13) | 0.55664 (11) | 0.0447 (4) | |
H19A | 0.360887 | 0.079214 | 0.550748 | 0.054* | |
H19B | 0.203779 | 0.112652 | 0.497179 | 0.054* | |
C16 | 0.11816 (17) | 0.14945 (12) | 0.65498 (12) | 0.0450 (4) | |
C13 | 0.54193 (15) | 0.21194 (11) | 0.83729 (11) | 0.0375 (4) | |
C20 | 0.23367 (15) | 0.08697 (11) | 0.64512 (11) | 0.0377 (4) | |
C8 | 0.40422 (15) | 0.09584 (10) | 1.01183 (11) | 0.0366 (4) | |
H8 | 0.469369 | 0.121527 | 1.066950 | 0.044* | |
C21 | 0.17320 (17) | −0.01170 (12) | 0.62229 (11) | 0.0437 (4) | |
O4 | 0.05006 (13) | −0.03278 (10) | 0.60776 (10) | 0.0649 (4) | |
C12 | 0.19570 (17) | 0.00624 (12) | 0.93635 (12) | 0.0443 (4) | |
H12 | 0.117331 | −0.029036 | 0.940506 | 0.053* | |
C18 | 0.33369 (17) | 0.21905 (12) | 0.56740 (12) | 0.0467 (4) | |
H18A | 0.381800 | 0.232559 | 0.518170 | 0.056* | |
H18B | 0.250752 | 0.259856 | 0.555766 | 0.056* | |
C17 | 0.43402 (16) | 0.23902 (11) | 0.66616 (12) | 0.0410 (4) | |
C11 | 0.21487 (17) | 0.02259 (12) | 0.84563 (12) | 0.0443 (4) | |
H11 | 0.149569 | −0.002549 | 0.790253 | 0.053* | |
C6 | 0.20395 (18) | −0.05906 (13) | 1.13558 (13) | 0.0507 (4) | |
H6 | 0.166517 | −0.099657 | 1.083600 | 0.061* | |
C3 | 0.32765 (18) | 0.08032 (12) | 1.19927 (12) | 0.0466 (4) | |
H3A | 0.375026 | 0.134713 | 1.191218 | 0.056* | |
C2 | 0.2424 (2) | −0.02057 (16) | 1.30377 (15) | 0.0627 (5) | |
H2 | 0.231601 | −0.034154 | 1.364935 | 0.075* | |
C1 | 0.1887 (2) | −0.08045 (15) | 1.22642 (15) | 0.0637 (5) | |
H1 | 0.142442 | −0.135050 | 1.235243 | 0.076* | |
C5 | 0.3116 (2) | 0.05875 (15) | 1.29030 (14) | 0.0579 (5) | |
H5 | 0.348412 | 0.098916 | 1.342756 | 0.070* | |
C22 | 0.2376 (2) | −0.16616 (14) | 0.59282 (18) | 0.0714 (6) | |
H22A | 0.150569 | −0.169084 | 0.538150 | 0.086* | |
H22B | 0.220030 | −0.197877 | 0.648226 | 0.086* | |
C23 | 0.3565 (3) | −0.21069 (18) | 0.5666 (2) | 0.1099 (10) | |
H23A | 0.372605 | −0.179133 | 0.511451 | 0.165* | |
H23B | 0.333040 | −0.274743 | 0.550071 | 0.165* | |
H23C | 0.442123 | −0.207456 | 0.621170 | 0.165* | |
N1 | 0.03398 (17) | 0.20167 (13) | 0.66178 (13) | 0.0658 (5) |