x | y | z | Uiso*/Ueq | ||
C1 | 0.2531 (2) | 1.32368 (19) | 0.26884 (15) | 0.0403 (4) | |
H1 | 0.1710 | 1.3834 | 0.3094 | 0.048* | |
C2 | 0.3654 (2) | 1.3910 (2) | 0.20151 (16) | 0.0453 (4) | |
H2 | 0.3626 | 1.4961 | 0.1983 | 0.054* | |
C3 | 0.48192 (19) | 1.2977 (2) | 0.13907 (15) | 0.0427 (4) | |
C4 | 0.49206 (19) | 1.1433 (2) | 0.14415 (16) | 0.0431 (4) | |
H4 | 0.5719 | 1.0831 | 0.1008 | 0.052* | |
C5 | 0.38164 (18) | 1.07952 (19) | 0.21467 (15) | 0.0373 (4) | |
H5 | 0.3883 | 0.9756 | 0.2206 | 0.045* | |
C6 | 0.26034 (17) | 1.16853 (17) | 0.27713 (13) | 0.0317 (3) | |
C7 | 0.13772 (17) | 1.09405 (17) | 0.35343 (14) | 0.0326 (3) | |
H7 | 0.0602 | 1.1724 | 0.3894 | 0.039* | |
C8 | 0.04677 (17) | 0.96034 (18) | 0.27041 (13) | 0.0330 (3) | |
C9 | −0.07332 (18) | 0.9969 (2) | 0.18054 (15) | 0.0386 (4) | |
C10 | −0.1554 (2) | 0.8623 (2) | 0.09238 (16) | 0.0456 (4) | |
H10A | −0.1777 | 0.8934 | 0.0138 | 0.055* | |
H10B | −0.2583 | 0.8373 | 0.1271 | 0.055* | |
C11 | −0.0557 (2) | 0.7178 (2) | 0.06734 (15) | 0.0446 (4) | |
H11A | 0.0400 | 0.7369 | 0.0210 | 0.054* | |
H11B | −0.1188 | 0.6322 | 0.0170 | 0.054* | |
C12 | −0.0052 (2) | 0.6741 (2) | 0.18949 (15) | 0.0434 (4) | |
H12A | −0.0992 | 0.6358 | 0.2284 | 0.052* | |
H12B | 0.0720 | 0.5918 | 0.1732 | 0.052* | |
C13 | 0.06922 (18) | 0.81242 (18) | 0.27499 (14) | 0.0349 (3) | |
C14 | 0.23414 (18) | 0.87924 (18) | 0.45824 (14) | 0.0337 (3) | |
C15 | 0.21916 (18) | 1.03614 (17) | 0.45763 (13) | 0.0336 (3) | |
C16 | 0.3124 (3) | 0.6535 (2) | 0.5443 (2) | 0.0685 (6) | |
H16A | 0.2041 | 0.6094 | 0.5407 | 0.103* | |
H16B | 0.3655 | 0.6397 | 0.6195 | 0.103* | |
H16C | 0.3714 | 0.6023 | 0.4733 | 0.103* | |
N1 | 0.30687 (19) | 0.81832 (17) | 0.54344 (13) | 0.0445 (4) | |
N2 | 0.28580 (17) | 1.14864 (16) | 0.55398 (12) | 0.0405 (3) | |
N3 | 0.5987 (2) | 1.3655 (3) | 0.06260 (18) | 0.0627 (5) | |
O1 | 0.16935 (14) | 0.76920 (13) | 0.36371 (10) | 0.0414 (3) | |
O2 | −0.10506 (16) | 1.13167 (16) | 0.18180 (13) | 0.0544 (4) | |
O3 | 0.36526 (17) | 1.11096 (15) | 0.64145 (11) | 0.0535 (3) | |
O4 | 0.26560 (19) | 1.28774 (14) | 0.55197 (12) | 0.0579 (4) | |
O5 | 0.6313 (2) | 1.5047 (2) | 0.09323 (18) | 0.0934 (6) | |
O6 | 0.6534 (2) | 1.2794 (2) | −0.02896 (18) | 0.0874 (6) | |
H1A | 0.349 (4) | 0.891 (3) | 0.607 (2) | 0.105* |