x | y | z | Uiso*/Ueq | ||
O1 | 0.16363 (8) | 0.74524 (7) | 0.85585 (7) | 0.0172 (2) | |
O2 | 0.17892 (8) | 0.56739 (7) | 0.97179 (7) | 0.01470 (19) | |
O3 | 0.35656 (9) | 0.44276 (8) | 0.96914 (7) | 0.0187 (2) | |
O4 | 0.32521 (9) | 0.79574 (8) | 0.73794 (8) | 0.0249 (2) | |
N1 | 0.44403 (10) | 0.56888 (9) | 0.76510 (9) | 0.0165 (2) | |
N2 | 0.51381 (10) | 0.46953 (9) | 0.78943 (9) | 0.0159 (2) | |
H2 | 0.4942 (16) | 0.4243 (15) | 0.8538 (15) | 0.028 (4)* | |
N3 | 1.03756 (11) | 0.29578 (10) | 0.47015 (10) | 0.0232 (2) | |
C1 | 0.08704 (11) | 0.64589 (10) | 0.90176 (10) | 0.0143 (2) | |
C2 | 0.27845 (12) | 0.71950 (11) | 0.79881 (10) | 0.0172 (2) | |
C3 | 0.34022 (12) | 0.59901 (10) | 0.82608 (10) | 0.0155 (2) | |
C4 | 0.29477 (11) | 0.52812 (10) | 0.92521 (10) | 0.0144 (2) | |
C5 | 0.62374 (11) | 0.43844 (10) | 0.72180 (10) | 0.0148 (2) | |
C6 | 0.64458 (13) | 0.49922 (11) | 0.61746 (10) | 0.0173 (2) | |
H6 | 0.5852 (15) | 0.5636 (14) | 0.5904 (13) | 0.020 (4)* | |
C7 | 0.75216 (13) | 0.46401 (11) | 0.55177 (10) | 0.0175 (2) | |
H7 | 0.7668 (15) | 0.5059 (14) | 0.4788 (13) | 0.024 (4)* | |
C8 | 0.83788 (12) | 0.36875 (11) | 0.59035 (10) | 0.0155 (2) | |
C9 | 0.81720 (12) | 0.30898 (11) | 0.69557 (10) | 0.0161 (2) | |
H9 | 0.8752 (14) | 0.2457 (14) | 0.7224 (12) | 0.020 (4)* | |
C10 | 0.70992 (12) | 0.34407 (11) | 0.76131 (10) | 0.0159 (2) | |
H10 | 0.6926 (14) | 0.3023 (14) | 0.8350 (13) | 0.021 (4)* | |
C11 | 0.01442 (13) | 0.57371 (11) | 0.80405 (10) | 0.0178 (2) | |
H111 | 0.0795 (15) | 0.5338 (14) | 0.7556 (13) | 0.022 (4)* | |
H112 | −0.0444 (15) | 0.5101 (14) | 0.8393 (13) | 0.023 (4)* | |
H113 | −0.0456 (15) | 0.6270 (15) | 0.7544 (14) | 0.026 (4)* | |
C12 | −0.00717 (13) | 0.70098 (11) | 0.98606 (10) | 0.0169 (2) | |
H121 | 0.0494 (16) | 0.7364 (15) | 1.0534 (13) | 0.026 (4)* | |
H122 | −0.0616 (15) | 0.7636 (14) | 0.9446 (13) | 0.021 (4)* | |
H123 | −0.0673 (16) | 0.6388 (16) | 1.0133 (15) | 0.035 (4)* | |
C13 | 0.94875 (12) | 0.32918 (11) | 0.52248 (10) | 0.0177 (2) |