x | y | z | Uiso*/Ueq | ||
Cl1 | 0.62065 (7) | 0.20187 (5) | 0.20512 (3) | 0.0746 (2) | |
O2 | 0.41212 (13) | 0.41383 (9) | 0.58832 (8) | 0.0428 (3) | |
O3 | 0.59219 (14) | 0.46948 (9) | 0.67954 (8) | 0.0462 (3) | |
O4 | 0.72015 (17) | −0.03918 (9) | 0.68325 (9) | 0.0606 (4) | |
H401 | 0.7879 | −0.0416 | 0.7202 | 0.091* | |
O1 | 0.64832 (15) | 0.37003 (10) | 0.44750 (9) | 0.0502 (3) | |
H101 | 0.6332 | 0.4338 | 0.4338 | 0.075* | |
N1 | 0.34605 (15) | 0.35386 (10) | 0.41842 (9) | 0.0364 (3) | |
H1A | 0.3652 | 0.4102 | 0.3852 | 0.044* | |
H1B | 0.3687 | 0.3748 | 0.4723 | 0.044* | |
C17 | 0.7690 (2) | 0.15336 (13) | 0.68657 (10) | 0.0398 (4) | |
H17 | 0.8653 | 0.1407 | 0.7036 | 0.048* | |
C13 | 0.57588 (18) | 0.28014 (12) | 0.64942 (10) | 0.0352 (4) | |
C6 | 0.68166 (18) | 0.20139 (13) | 0.37627 (11) | 0.0387 (4) | |
C7 | 0.58728 (18) | 0.30067 (13) | 0.38234 (11) | 0.0377 (4) | |
H7 | 0.5787 | 0.3401 | 0.3285 | 0.045* | |
C8 | 0.44059 (18) | 0.26082 (12) | 0.40065 (11) | 0.0379 (4) | |
H8A | 0.3967 | 0.2201 | 0.3525 | 0.045* | |
H8B | 0.4511 | 0.2122 | 0.4489 | 0.045* | |
C12 | 0.52260 (19) | 0.39509 (12) | 0.63789 (10) | 0.0364 (4) | |
C18 | 0.71869 (19) | 0.25922 (13) | 0.67590 (10) | 0.0373 (4) | |
H18 | 0.7817 | 0.3172 | 0.6867 | 0.045* | |
C16 | 0.6755 (2) | 0.06630 (13) | 0.67183 (11) | 0.0419 (4) | |
C1 | 0.7039 (2) | 0.15117 (15) | 0.30082 (12) | 0.0475 (4) | |
C5 | 0.7444 (2) | 0.15316 (15) | 0.45040 (13) | 0.0485 (4) | |
H5 | 0.7312 | 0.1846 | 0.5021 | 0.058* | |
C9 | 0.18745 (19) | 0.33141 (15) | 0.40517 (12) | 0.0459 (4) | |
H9 | 0.1636 | 0.3057 | 0.3471 | 0.055* | |
C14 | 0.4843 (2) | 0.19169 (14) | 0.63267 (12) | 0.0451 (4) | |
H14 | 0.3886 | 0.2039 | 0.6138 | 0.054* | |
C15 | 0.5339 (2) | 0.08564 (14) | 0.64370 (13) | 0.0499 (5) | |
H15 | 0.4715 | 0.0274 | 0.6321 | 0.060* | |
C4 | 0.8256 (2) | 0.05966 (16) | 0.44857 (16) | 0.0592 (6) | |
H4 | 0.8649 | 0.0280 | 0.4988 | 0.071* | |
C2 | 0.7882 (2) | 0.05865 (17) | 0.29803 (16) | 0.0620 (6) | |
H2 | 0.8036 | 0.0276 | 0.2465 | 0.074* | |
C3 | 0.8488 (2) | 0.01326 (17) | 0.37280 (18) | 0.0661 (6) | |
H3 | 0.9053 | −0.0489 | 0.3718 | 0.079* | |
C10 | 0.1482 (2) | 0.2436 (2) | 0.46424 (17) | 0.0748 (7) | |
H10A | 0.2010 | 0.1784 | 0.4549 | 0.112* | |
H10B | 0.0476 | 0.2288 | 0.4540 | 0.112* | |
H10C | 0.1709 | 0.2673 | 0.5215 | 0.112* | |
C11 | 0.1090 (3) | 0.4372 (2) | 0.4154 (2) | 0.0839 (8) | |
H11A | 0.1381 | 0.4901 | 0.3761 | 0.126* | |
H11B | 0.1313 | 0.4639 | 0.4719 | 0.126* | |
H11C | 0.0079 | 0.4251 | 0.4046 | 0.126* |