x | y | z | Uiso*/Ueq | ||
O1 | 0.3536 (4) | 1.0472 (3) | 0.73306 (10) | 0.0732 (8) | |
C9 | 0.4310 (5) | 0.9265 (4) | 0.74986 (14) | 0.0574 (9) | |
N1 | 0.5307 (5) | 0.8365 (4) | 0.71908 (12) | 0.0630 (8) | |
C2 | 0.4248 (5) | 0.7787 (4) | 0.62951 (15) | 0.0702 (11) | |
N2 | −0.0448 (5) | 0.6926 (4) | 0.81406 (16) | 0.0822 (10) | |
C1 | 0.5641 (6) | 0.8626 (4) | 0.66407 (15) | 0.0712 (11) | |
H1 | 0.5511 | 0.9749 | 0.6576 | 0.085* | |
C3 | 0.2953 (5) | 0.6773 (5) | 0.64922 (16) | 0.0714 (11) | |
H3 | 0.2874 | 0.6622 | 0.685 | 0.086* | |
C12 | 0.1826 (5) | 0.7462 (4) | 0.86932 (15) | 0.0647 (10) | |
C11 | 0.2352 (5) | 0.8019 (4) | 0.81856 (14) | 0.0594 (9) | |
C10 | 0.4134 (5) | 0.8780 (4) | 0.80602 (14) | 0.0636 (10) | |
H10A | 0.5117 | 0.8061 | 0.8144 | 0.076* | |
H10B | 0.4278 | 0.9696 | 0.8279 | 0.076* | |
C17 | 0.0087 (6) | 0.6788 (4) | 0.86442 (18) | 0.0752 (11) | |
C18 | 0.0937 (5) | 0.7666 (5) | 0.78644 (16) | 0.0735 (11) | |
H18 | 0.0899 | 0.7887 | 0.751 | 0.088* | |
C4 | 0.1767 (7) | 0.5977 (6) | 0.6164 (2) | 0.0978 (15) | |
H4 | 0.091 | 0.5291 | 0.6303 | 0.117* | |
C16 | −0.0813 (7) | 0.6093 (6) | 0.9064 (2) | 0.0980 (15) | |
H16 | −0.1963 | 0.5641 | 0.9025 | 0.118* | |
C13 | 0.2681 (7) | 0.7464 (5) | 0.91787 (17) | 0.0867 (13) | |
H13 | 0.3831 | 0.791 | 0.9223 | 0.104* | |
C7 | 0.4333 (8) | 0.7996 (6) | 0.57627 (19) | 0.1064 (17) | |
H7 | 0.5194 | 0.867 | 0.5619 | 0.128* | |
C8 | 0.7594 (6) | 0.8189 (6) | 0.6517 (2) | 0.0986 (15) | |
H8A | 0.7763 | 0.7089 | 0.6572 | 0.148* | |
H8B | 0.8407 | 0.8761 | 0.6741 | 0.148* | |
H8C | 0.7856 | 0.8439 | 0.616 | 0.148* | |
C15 | 0.0072 (10) | 0.6104 (7) | 0.9535 (2) | 0.121 (2) | |
H15 | −0.0488 | 0.5643 | 0.9822 | 0.146* | |
C14 | 0.1770 (10) | 0.6781 (7) | 0.9594 (2) | 0.1179 (18) | |
H14 | 0.2318 | 0.678 | 0.9921 | 0.141* | |
C6 | 0.3115 (11) | 0.7186 (9) | 0.5442 (2) | 0.138 (2) | |
H6 | 0.3174 | 0.7333 | 0.5084 | 0.166* | |
C5 | 0.1852 (9) | 0.6192 (9) | 0.5639 (3) | 0.127 (2) | |
H5 | 0.1053 | 0.5664 | 0.5419 | 0.153* | |
H1N | 0.589 (6) | 0.757 (6) | 0.7342 (17) | 0.104 (16)* | |
H2N | −0.147 (8) | 0.659 (6) | 0.7935 (18) | 0.130 (18)* |