x | y | z | Uiso*/Ueq | ||
O1 | 0.7450 (3) | 0.31702 (12) | 1.09538 (15) | 0.0271 (5) | |
H1 | 0.7745 | 0.2698 | 1.1150 | 0.041* | |
O2 | 0.3884 (3) | 0.32742 (11) | 0.58919 (15) | 0.0246 (5) | |
O3 | 0.1758 (3) | 0.41831 (13) | 0.32215 (18) | 0.0444 (6) | |
H3 | 0.2262 | 0.4067 | 0.3866 | 0.067* | |
O4 | −0.1014 (3) | 0.59721 (14) | 0.05179 (16) | 0.0359 (6) | |
O5 | 0.4249 (4) | 0.61425 (14) | 0.73043 (18) | 0.0495 (7) | |
H51 | 0.4027 | 0.6363 | 0.7892 | 0.074* | |
H52 | 0.5420 | 0.6108 | 0.7317 | 0.074* | |
N1 | 0.3620 (3) | 0.45875 (14) | 0.62786 (18) | 0.0208 (5) | |
H11 | 0.3800 | 0.4987 | 0.6754 | 0.025* | |
N2 | 0.2800 (3) | 0.47111 (14) | 0.51985 (17) | 0.0218 (5) | |
C1 | 0.4997 (3) | 0.36829 (15) | 0.7739 (2) | 0.0174 (5) | |
C2 | 0.5351 (4) | 0.42869 (16) | 0.8536 (2) | 0.0204 (6) | |
H2 | 0.5012 | 0.4826 | 0.8345 | 0.024* | |
C3 | 0.6192 (4) | 0.41082 (16) | 0.9602 (2) | 0.0216 (6) | |
H3A | 0.6449 | 0.4524 | 1.0135 | 0.026* | |
C4 | 0.6653 (3) | 0.33229 (16) | 0.9886 (2) | 0.0197 (6) | |
C5 | 0.6322 (4) | 0.27144 (16) | 0.9108 (2) | 0.0214 (6) | |
H5A | 0.6655 | 0.2176 | 0.9305 | 0.026* | |
C6 | 0.5504 (4) | 0.28976 (16) | 0.8043 (2) | 0.0208 (6) | |
H6 | 0.5284 | 0.2481 | 0.7508 | 0.025* | |
C7 | 0.4134 (3) | 0.38292 (16) | 0.6579 (2) | 0.0191 (6) | |
C8 | 0.2221 (4) | 0.54217 (18) | 0.4913 (2) | 0.0231 (6) | |
H8 | 0.2362 | 0.5848 | 0.5436 | 0.028* | |
C9 | 0.1350 (4) | 0.55631 (18) | 0.3780 (2) | 0.0235 (6) | |
C10 | 0.1117 (4) | 0.49462 (18) | 0.2982 (2) | 0.0289 (7) | |
C11 | 0.0295 (4) | 0.5107 (2) | 0.1905 (2) | 0.0329 (7) | |
H11A | 0.0125 | 0.4689 | 0.1371 | 0.040* | |
C12 | −0.0278 (4) | 0.5882 (2) | 0.1614 (2) | 0.0281 (7) | |
C13 | −0.0097 (4) | 0.64983 (19) | 0.2380 (2) | 0.0290 (7) | |
H13 | −0.0519 | 0.7025 | 0.2177 | 0.035* | |
C14 | 0.0714 (4) | 0.63284 (18) | 0.3450 (2) | 0.0270 (6) | |
H14 | 0.0843 | 0.6749 | 0.3982 | 0.032* | |
C15 | −0.1581 (4) | 0.6759 (2) | 0.0151 (3) | 0.0385 (8) | |
H15A | −0.2026 | 0.6749 | −0.0647 | 0.058* | |
H15B | −0.0508 | 0.7127 | 0.0299 | 0.058* | |
H15C | −0.2598 | 0.6944 | 0.0549 | 0.058* |