x | y | z | Uiso*/Ueq | ||
N1 | 0.9325 (3) | 0.15463 (10) | 0.3804 (4) | 0.0607 (7) | |
O1 | 0.9997 (3) | 0.09590 (7) | −0.0287 (2) | 0.0536 (6) | |
O2 | 0.7379 (3) | 0.04533 (8) | −0.2839 (3) | 0.0628 (6) | |
O3 | 0.3972 (3) | 0.02973 (8) | −0.2724 (3) | 0.0640 (6) | |
C1 | 0.9412 (4) | 0.13395 (11) | 0.2492 (4) | 0.0520 (8) | |
H1 | 1.0549 | 0.1351 | 0.2348 | 0.062* | |
C2 | 0.7898 (4) | 0.10855 (10) | 0.1187 (4) | 0.0448 (7) | |
C3 | 0.8252 (4) | 0.08912 (10) | −0.0207 (4) | 0.0451 (7) | |
C4 | 0.6955 (4) | 0.06230 (10) | −0.1484 (4) | 0.0466 (7) | |
C5 | 0.5201 (4) | 0.05545 (10) | −0.1404 (4) | 0.0481 (8) | |
C6 | 0.4808 (4) | 0.07464 (11) | −0.0057 (4) | 0.0506 (8) | |
H6 | 0.3632 | 0.0698 | −0.0019 | 0.061* | |
C7 | 0.6114 (4) | 0.10096 (10) | 0.1238 (4) | 0.0512 (8) | |
C8 | 1.0063 (5) | 0.13609 (12) | −0.1356 (5) | 0.0742 (11) | |
H8A | 0.9214 | 0.1302 | −0.2502 | 0.111* | |
H8B | 1.1303 | 0.1393 | −0.1350 | 0.111* | |
H8C | 0.9717 | 0.1657 | −0.0933 | 0.111* | |
C9 | 0.7579 (5) | −0.00633 (14) | −0.2860 (5) | 0.0790 (11) | |
H9A | 0.8493 | −0.0169 | −0.1793 | 0.119* | |
H9B | 0.7973 | −0.0154 | −0.3777 | 0.119* | |
H9C | 0.6408 | −0.0217 | −0.3023 | 0.119* | |
C10 | 0.2178 (4) | 0.01986 (14) | −0.2686 (4) | 0.0737 (11) | |
H10A | 0.2309 | 0.0048 | −0.1617 | 0.111* | |
H10B | 0.1515 | −0.0018 | −0.3607 | 0.111* | |
H10C | 0.1499 | 0.0500 | −0.2808 | 0.111* | |
C11 | 0.5545 (5) | 0.11989 (13) | 0.2664 (5) | 0.0774 (11) | |
H11A | 0.4251 | 0.1131 | 0.2402 | 0.116* | |
H11B | 0.5749 | 0.1546 | 0.2779 | 0.116* | |
H11C | 0.6275 | 0.1040 | 0.3715 | 0.116* | |
C12 | 1.0977 (4) | 0.17428 (11) | 0.5029 (4) | 0.0501 (8) | |
C13 | 1.2692 (4) | 0.15170 (11) | 0.5499 (4) | 0.0566 (9) | |
H13 | 1.2816 | 0.1228 | 0.4965 | 0.068* | |
C14 | 1.4218 (4) | 0.17184 (12) | 0.6755 (4) | 0.0623 (9) | |
H14 | 1.5363 | 0.1562 | 0.7045 | 0.075* | |
C15 | 1.4108 (4) | 0.21420 (12) | 0.7595 (4) | 0.0596 (9) | |
C16 | 1.2394 (5) | 0.23596 (12) | 0.7127 (4) | 0.0678 (10) | |
H16 | 1.2272 | 0.2647 | 0.7668 | 0.081* | |
C17 | 1.0854 (5) | 0.21645 (12) | 0.5881 (4) | 0.0653 (10) | |
H17 | 0.9708 | 0.2319 | 0.5607 | 0.078* | |
C18 | 1.5798 (5) | 0.23466 (14) | 0.8988 (5) | 0.0950 (13) | |
H18A | 1.6665 | 0.2465 | 0.8501 | 0.143* | |
H18B | 1.6375 | 0.2094 | 0.9806 | 0.143* | |
H18C | 1.5431 | 0.2612 | 0.9546 | 0.143* |