x | y | z | Uiso*/Ueq | ||
N | −0.2377 (4) | −0.2430 (4) | 0.3798 (3) | 0.1162 (11) | |
C1 | 0.2296 (3) | 0.0884 (3) | 0.2410 (2) | 0.0587 (7) | |
C2 | 0.1181 (3) | 0.0220 (3) | 0.3086 (2) | 0.0643 (7) | |
H2A | 0.1403 | 0.0698 | 0.3881 | 0.077* | |
C3 | −0.0281 (3) | −0.1178 (3) | 0.2548 (3) | 0.0692 (7) | |
C4 | −0.0608 (4) | −0.1901 (3) | 0.1362 (3) | 0.0816 (9) | |
H4A | −0.1594 | −0.2834 | 0.1014 | 0.098* | |
C5 | 0.0513 (4) | −0.1248 (3) | 0.0704 (3) | 0.0782 (9) | |
H5A | 0.0301 | −0.1742 | −0.0086 | 0.094* | |
C6 | 0.1966 (3) | 0.0153 (3) | 0.1223 (2) | 0.0624 (7) | |
C7 | 0.3335 (3) | 0.1124 (3) | 0.0740 (2) | 0.0658 (7) | |
C8 | 0.3608 (4) | 0.0907 (4) | −0.0388 (3) | 0.0875 (9) | |
H8A | 0.2854 | 0.0015 | −0.0980 | 0.105* | |
C9 | 0.5023 (5) | 0.2045 (5) | −0.0604 (3) | 0.1045 (12) | |
H9A | 0.5215 | 0.1928 | −0.1357 | 0.125* | |
C10 | 0.6160 (5) | 0.3356 (4) | 0.0274 (3) | 0.1079 (12) | |
H10A | 0.7116 | 0.4102 | 0.0110 | 0.130* | |
C11 | 0.5895 (4) | 0.3572 (4) | 0.1397 (3) | 0.0883 (10) | |
H11A | 0.6659 | 0.4461 | 0.1988 | 0.106* | |
C12 | 0.4472 (3) | 0.2443 (3) | 0.1626 (2) | 0.0652 (7) | |
C13 | 0.3936 (3) | 0.2420 (3) | 0.2785 (2) | 0.0587 (7) | |
C14 | 0.5202 (3) | 0.2379 (3) | 0.3724 (2) | 0.0684 (8) | |
H14A | 0.6249 | 0.3348 | 0.3892 | 0.082* | |
H14B | 0.4798 | 0.2341 | 0.4441 | 0.082* | |
C15 | 0.5545 (4) | 0.1028 (4) | 0.3405 (3) | 0.0891 (10) | |
H15A | 0.5793 | 0.0965 | 0.2633 | 0.107* | |
H15B | 0.4544 | 0.0062 | 0.3359 | 0.107* | |
C16 | 0.6984 (5) | 0.1167 (5) | 0.4276 (3) | 0.1128 (13) | |
H16A | 0.6845 | 0.1435 | 0.5066 | 0.135* | |
H16B | 0.6929 | 0.0156 | 0.4143 | 0.135* | |
C17 | 0.8637 (6) | 0.2332 (7) | 0.4198 (5) | 0.166 (2) | |
H17A | 0.9473 | 0.2382 | 0.4789 | 0.248* | |
H17B | 0.8703 | 0.3337 | 0.4319 | 0.248* | |
H17C | 0.8819 | 0.2042 | 0.3435 | 0.248* | |
C18 | 0.3682 (3) | 0.3808 (3) | 0.3257 (2) | 0.0625 (7) | |
H18A | 0.3309 | 0.3698 | 0.3981 | 0.075* | |
H18B | 0.4755 | 0.4756 | 0.3451 | 0.075* | |
C19 | 0.2465 (4) | 0.4010 (3) | 0.2449 (2) | 0.0739 (8) | |
H19A | 0.1378 | 0.3081 | 0.2269 | 0.089* | |
H19B | 0.2819 | 0.4109 | 0.1718 | 0.089* | |
C20 | 0.2307 (5) | 0.5418 (4) | 0.2962 (3) | 0.1006 (11) | |
H20A | 0.2037 | 0.5355 | 0.3722 | 0.121* | |
H20B | 0.3378 | 0.6351 | 0.3089 | 0.121* | |
C21 | 0.1008 (6) | 0.5581 (6) | 0.2209 (4) | 0.1452 (17) | |
H21A | 0.0981 | 0.6498 | 0.2590 | 0.218* | |
H21B | −0.0064 | 0.4676 | 0.2095 | 0.218* | |
H21C | 0.1279 | 0.5672 | 0.1461 | 0.218* | |
C22 | −0.1465 (4) | −0.1884 (4) | 0.3242 (3) | 0.0849 (9) |