x | y | z | Uiso*/Ueq | ||
C1 | 0.53278 (16) | 0.7444 (3) | 0.0860 (2) | 0.0408 (5) | |
C2 | 0.57651 (16) | 0.9338 (3) | 0.0535 (2) | 0.0451 (6) | |
C3 | 0.69788 (18) | 1.1717 (4) | 0.1022 (3) | 0.0718 (9) | |
H3A | 0.6519 | 1.2763 | 0.1164 | 0.108* | |
H3B | 0.7207 | 1.1807 | 0.0183 | 0.108* | |
H3C | 0.7497 | 1.1885 | 0.1588 | 0.108* | |
C4 | 0.5396 (2) | 1.0535 (4) | −0.0390 (3) | 0.0557 (7) | |
H4 | 0.5680 | 1.1776 | −0.0566 | 0.067* | |
C5 | 0.4599 (2) | 0.9927 (5) | −0.1078 (3) | 0.0625 (8) | |
H5 | 0.4366 | 1.0750 | −0.1710 | 0.075* | |
C6 | 0.41744 (18) | 0.8135 (4) | −0.0814 (3) | 0.0570 (7) | |
H6 | 0.3655 | 0.7718 | −0.1278 | 0.068* | |
C7 | 0.45145 (15) | 0.6891 (4) | 0.0160 (2) | 0.0436 (5) | |
C8 | 0.39971 (16) | 0.5130 (4) | 0.0485 (2) | 0.0460 (6) | |
H8 | 0.3479 | 0.4790 | −0.0006 | 0.055* | |
C9 | 0.36073 (17) | 0.2262 (4) | 0.1804 (3) | 0.0535 (6) | |
H9A | 0.4005 | 0.1091 | 0.1961 | 0.064* | |
H9B | 0.3173 | 0.1915 | 0.1140 | 0.064* | |
C10 | 0.30532 (16) | 0.2758 (4) | 0.2962 (3) | 0.0529 (6) | |
H10A | 0.2717 | 0.1553 | 0.3232 | 0.064* | |
H10B | 0.3490 | 0.3137 | 0.3617 | 0.064* | |
N1 | 0.41934 (14) | 0.3958 (3) | 0.1415 (2) | 0.0478 (5) | |
H1 | 0.4701 | 0.4199 | 0.1829 | 0.057* | |
O1 | 0.56592 (11) | 0.6322 (2) | 0.17429 (18) | 0.0486 (4) | |
O2 | 0.65545 (11) | 0.9784 (3) | 0.1213 (2) | 0.0564 (5) | |
O3 | 0.23996 (12) | 0.4345 (2) | 0.2785 (2) | 0.0584 (5) | |
H3 | 0.1946 | 0.3924 | 0.2387 | 0.088* |