x | y | z | Uiso*/Ueq | ||
O1 | 0.67236 (15) | −0.08852 (7) | 0.29527 (11) | 0.0320 (3) | |
O2 | 0.66323 (13) | −0.10194 (6) | 0.51291 (11) | 0.0242 (3) | |
O3 | 0.8949 (2) | 0.18072 (8) | 0.77978 (13) | 0.0489 (4) | |
O4 | 1.00887 (15) | 0.25558 (7) | 0.64857 (12) | 0.0325 (3) | |
N1 | 0.84828 (15) | 0.07104 (8) | 0.37170 (12) | 0.0192 (3) | |
N2 | 0.93141 (17) | 0.19300 (8) | 0.67172 (14) | 0.0261 (3) | |
C1 | 0.77664 (17) | 0.01969 (9) | 0.45352 (15) | 0.0190 (3) | |
C2 | 0.79676 (18) | 0.05720 (9) | 0.57710 (15) | 0.0204 (3) | |
H2 | 0.7608 | 0.0365 | 0.6530 | 0.024* | |
C3 | 0.88142 (18) | 0.13247 (9) | 0.56798 (15) | 0.0203 (3) | |
C4 | 0.91140 (18) | 0.13959 (9) | 0.44135 (15) | 0.0201 (3) | |
H4 | 0.9667 | 0.1848 | 0.4091 | 0.024* | |
C5 | 0.69928 (18) | −0.06124 (9) | 0.40866 (15) | 0.0210 (3) | |
C6 | 0.5915 (2) | −0.18454 (9) | 0.48267 (17) | 0.0276 (4) | |
H6A | 0.6748 | −0.2201 | 0.4501 | 0.033* | |
H6B | 0.4800 | −0.1822 | 0.4117 | 0.033* | |
C7 | 0.5610 (2) | −0.21857 (11) | 0.61188 (19) | 0.0391 (5) | |
H7A | 0.6723 | −0.2205 | 0.6811 | 0.059* | |
H7B | 0.5123 | −0.2746 | 0.5959 | 0.059* | |
H7C | 0.4785 | −0.1828 | 0.6430 | 0.059* | |
C8 | 0.86099 (19) | 0.05609 (10) | 0.23232 (15) | 0.0222 (3) | |
H8A | 0.8812 | −0.0037 | 0.2205 | 0.027* | |
H8B | 0.9626 | 0.0869 | 0.2164 | 0.027* | |
C9 | 0.69648 (19) | 0.08289 (10) | 0.12910 (15) | 0.0237 (3) | |
H9A | 0.6743 | 0.1423 | 0.1423 | 0.028* | |
H9B | 0.5953 | 0.0509 | 0.1431 | 0.028* | |
C10 | 0.7135 (2) | 0.06919 (10) | −0.01578 (16) | 0.0285 (4) | |
H10A | 0.6022 | 0.0852 | −0.0801 | 0.034* | |
H10B | 0.8069 | 0.1057 | −0.0323 | 0.034* | |
C11 | 0.75444 (19) | −0.01676 (11) | −0.04200 (16) | 0.0285 (4) | |
C12 | 0.7889 (2) | −0.08626 (12) | −0.0585 (2) | 0.0377 (4) | |
H12 | 0.8167 | −0.1424 | −0.0718 | 0.045* |