x | y | z | Uiso*/Ueq | ||
C2 | 0.18856 (17) | −0.04107 (16) | 0.05238 (10) | 0.0416 (3) | |
C8 | 0.27051 (18) | 0.29435 (17) | 0.10755 (11) | 0.0439 (3) | |
C1 | 0.12960 (17) | 0.00751 (16) | 0.15015 (10) | 0.0409 (3) | |
C16 | 0.25132 (19) | −0.00447 (18) | 0.38809 (12) | 0.0475 (3) | |
N1 | 0.32779 (16) | 0.24918 (14) | 0.01345 (9) | 0.0477 (3) | |
C14 | 0.02296 (18) | −0.12607 (17) | 0.21649 (11) | 0.0455 (3) | |
H14 | −0.0906 | −0.2111 | 0.1815 | 0.055* | |
O4 | −0.19557 (15) | −0.38893 (13) | 0.31911 (9) | 0.0630 (3) | |
C13 | 0.16978 (17) | 0.17719 (16) | 0.17992 (10) | 0.0412 (3) | |
C12 | 0.11370 (19) | 0.24024 (18) | 0.27615 (11) | 0.0484 (3) | |
H12 | 0.0464 | 0.1665 | 0.3236 | 0.058* | |
C11 | 0.1572 (2) | 0.4058 (2) | 0.29913 (12) | 0.0544 (4) | |
H11 | 0.1202 | 0.4443 | 0.3625 | 0.065* | |
C6 | 0.3548 (2) | 0.0411 (2) | −0.11100 (12) | 0.0549 (4) | |
H6 | 0.4194 | 0.1228 | −0.1546 | 0.066* | |
C9 | 0.3139 (2) | 0.46746 (18) | 0.13512 (13) | 0.0538 (4) | |
H9 | 0.3808 | 0.5443 | 0.0892 | 0.065* | |
O2 | 0.22592 (15) | 0.05138 (14) | 0.48843 (9) | 0.0593 (3) | |
O1 | 0.39648 (15) | 0.04600 (18) | 0.35414 (10) | 0.0745 (4) | |
O3 | 0.02856 (18) | −0.31220 (15) | 0.46082 (10) | 0.0716 (4) | |
C7 | 0.28933 (18) | 0.08723 (17) | −0.01311 (11) | 0.0445 (3) | |
C18 | −0.0314 (2) | −0.28576 (17) | 0.37642 (11) | 0.0488 (3) | |
C5 | 0.3247 (2) | −0.1193 (2) | −0.14145 (14) | 0.0618 (4) | |
H5 | 0.3696 | −0.1466 | −0.2051 | 0.074* | |
C3 | 0.1592 (2) | −0.20857 (18) | 0.01646 (12) | 0.0508 (3) | |
H3 | 0.0939 | −0.2935 | 0.0577 | 0.061* | |
C15 | 0.07425 (18) | −0.13590 (17) | 0.32134 (11) | 0.0452 (3) | |
C10 | 0.2585 (2) | 0.52130 (19) | 0.22792 (13) | 0.0578 (4) | |
H10 | 0.2871 | 0.6345 | 0.2449 | 0.069* | |
C4 | 0.2252 (2) | −0.2462 (2) | −0.07701 (14) | 0.0588 (4) | |
H4 | 0.2048 | −0.3563 | −0.0989 | 0.071* | |
C19 | −0.3052 (3) | −0.5404 (2) | 0.36533 (18) | 0.0765 (5) | |
H19A | −0.4202 | −0.6062 | 0.3179 | 0.115* | |
H19B | −0.3267 | −0.5095 | 0.4398 | 0.115* | |
H19C | −0.2415 | −0.6059 | 0.3690 | 0.115* | |
C17 | 0.3884 (3) | 0.1685 (3) | 0.56385 (16) | 0.0767 (5) | |
H17A | 0.3545 | 0.2006 | 0.6338 | 0.115* | |
H17B | 0.4557 | 0.2672 | 0.5302 | 0.115* | |
H17C | 0.4634 | 0.1156 | 0.5779 | 0.115* |