x | y | z | Uiso*/Ueq | ||
O1 | 0.9023 (2) | 0.57210 (19) | 0.08857 (8) | 0.0881 (5) | |
O2 | 0.6626 (3) | 0.55701 (17) | 0.16347 (8) | 0.0834 (5) | |
O3 | 0.48247 (17) | 0.11443 (13) | 0.18968 (6) | 0.0498 (3) | |
O4 | 0.8273 (2) | 0.17014 (17) | 0.16857 (8) | 0.0744 (5) | |
N2 | 0.7361 (3) | 0.51890 (17) | 0.11093 (9) | 0.0604 (5) | |
N3 | 0.5484 (3) | 0.2475 (2) | −0.00606 (8) | 0.0658 (5) | |
N1 | 0.4442 (2) | 0.33433 (15) | 0.09081 (7) | 0.0476 (4) | |
C5 | 0.6300 (3) | 0.40876 (19) | 0.07274 (9) | 0.0497 (5) | |
C4 | 0.6890 (3) | 0.3540 (2) | 0.01383 (10) | 0.0599 (5) | |
H4A | 0.8088 | 0.3851 | −0.0095 | 0.072* | |
C2 | 0.4036 (3) | 0.2373 (2) | 0.04109 (10) | 0.0552 (5) | |
C11 | 0.2199 (3) | 0.1309 (3) | 0.03950 (12) | 0.0744 (6) | |
H11A | 0.2237 | 0.0738 | −0.0003 | 0.112* | |
H11B | 0.0859 | 0.1848 | 0.0412 | 0.112* | |
H11C | 0.2312 | 0.0654 | 0.0766 | 0.112* | |
C6 | 0.3239 (3) | 0.3431 (2) | 0.15215 (9) | 0.0517 (5) | |
H6A | 0.1826 | 0.2979 | 0.1455 | 0.062* | |
H6B | 0.3018 | 0.4468 | 0.1633 | 0.062* | |
C7 | 0.4387 (3) | 0.26641 (19) | 0.20886 (9) | 0.0489 (5) | |
H7A | 0.5748 | 0.3178 | 0.2193 | 0.059* | |
C8 | 0.2980 (4) | 0.2624 (2) | 0.26847 (10) | 0.0674 (6) | |
H8A | 0.3741 | 0.2134 | 0.3038 | 0.101* | |
H8B | 0.1670 | 0.2092 | 0.2583 | 0.101* | |
H8C | 0.2633 | 0.3622 | 0.2814 | 0.101* | |
C9 | 0.6837 (3) | 0.0809 (2) | 0.17030 (9) | 0.0514 (5) | |
C10 | 0.7003 (3) | −0.0780 (2) | 0.15128 (12) | 0.0731 (6) | |
H10A | 0.8452 | −0.0989 | 0.1377 | 0.110* | |
H10B | 0.6007 | −0.0982 | 0.1157 | 0.110* | |
H10C | 0.6658 | −0.1395 | 0.1882 | 0.110* |