x | y | z | Uiso*/Ueq | ||
Cl1 | 0.29234 (3) | 0.32109 (4) | 0.48615 (3) | 0.02725 (10) | |
O1 | 0.18273 (7) | 0.38773 (11) | 0.64208 (7) | 0.0241 (2) | |
O2 | 0.10261 (6) | 0.65866 (12) | 0.67309 (7) | 0.0239 (2) | |
O3 | 0.10408 (7) | 0.88836 (11) | 0.54071 (9) | 0.0302 (2) | |
O4 | 0.25869 (8) | 0.47397 (12) | 0.27145 (8) | 0.0320 (3) | |
O5 | 0.38442 (7) | 0.56929 (12) | −0.02661 (7) | 0.0249 (2) | |
N1 | 0.33695 (8) | 0.69571 (13) | 0.31234 (8) | 0.0191 (2) | |
H1A | 0.3526 (12) | 0.762 (2) | 0.3588 (13) | 0.026 (4)* | |
C1 | 0.23398 (9) | 0.60558 (15) | 0.42223 (10) | 0.0193 (2) | |
C2 | 0.23353 (9) | 0.48844 (14) | 0.49310 (10) | 0.0189 (2) | |
C3 | 0.18745 (9) | 0.50552 (14) | 0.57581 (10) | 0.0186 (2) | |
C4 | 0.14420 (9) | 0.64091 (15) | 0.58915 (10) | 0.0194 (2) | |
C5 | 0.14667 (9) | 0.76025 (15) | 0.51996 (10) | 0.0204 (2) | |
C6 | 0.19046 (9) | 0.74103 (15) | 0.43585 (10) | 0.0207 (3) | |
H6A | 0.190600 | 0.820783 | 0.387583 | 0.025* | |
C7 | 0.25364 (12) | 0.39211 (18) | 0.73685 (12) | 0.0323 (3) | |
H7A | 0.247923 | 0.303626 | 0.779583 | 0.048* | |
H7B | 0.246122 | 0.483071 | 0.776384 | 0.048* | |
H7C | 0.315408 | 0.392639 | 0.719441 | 0.048* | |
C8 | 0.00347 (10) | 0.62546 (17) | 0.64724 (12) | 0.0260 (3) | |
H8A | −0.006469 | 0.516730 | 0.633878 | 0.031* | |
H8B | −0.027186 | 0.680643 | 0.583095 | 0.031* | |
C9 | −0.03754 (11) | 0.6722 (2) | 0.73783 (14) | 0.0410 (4) | |
H9A | −0.104576 | 0.649464 | 0.722087 | 0.061* | |
H9B | −0.028357 | 0.780238 | 0.749697 | 0.061* | |
H9C | −0.006531 | 0.617541 | 0.801030 | 0.061* | |
C10 | 0.12623 (12) | 1.02402 (17) | 0.49314 (14) | 0.0327 (3) | |
H10A | 0.109255 | 1.110196 | 0.531760 | 0.049* | |
H10B | 0.091199 | 1.028074 | 0.420061 | 0.049* | |
H10C | 0.193419 | 1.026858 | 0.494974 | 0.049* | |
C11 | 0.27614 (9) | 0.58307 (16) | 0.32791 (10) | 0.0213 (3) | |
C12 | 0.38339 (9) | 0.70472 (14) | 0.22986 (10) | 0.0180 (2) | |
C13 | 0.36265 (9) | 0.61821 (15) | 0.14259 (10) | 0.0204 (3) | |
H13A | 0.315554 | 0.543565 | 0.137043 | 0.024* | |
C14 | 0.41092 (9) | 0.63713 (15) | 0.05714 (10) | 0.0201 (2) | |
C15 | 0.49279 (10) | 0.74267 (18) | 0.07335 (11) | 0.0262 (3) | |
H15A | 0.499687 | 0.781566 | 0.004357 | 0.031* | |
H15B | 0.550511 | 0.686924 | 0.104906 | 0.031* | |
C16 | 0.48180 (11) | 0.87402 (17) | 0.14418 (11) | 0.0275 (3) | |
H16A | 0.430304 | 0.939526 | 0.107746 | 0.033* | |
H16B | 0.540060 | 0.934001 | 0.158934 | 0.033* | |
C17 | 0.46077 (10) | 0.81930 (16) | 0.24729 (11) | 0.0234 (3) | |
H17A | 0.518006 | 0.774546 | 0.291063 | 0.028* | |
H17B | 0.442654 | 0.905888 | 0.286032 | 0.028* |