x | y | z | Uiso*/Ueq | ||
O3 | 0.1263 (2) | 0.73985 (17) | 0.98682 (13) | 0.0183 (4) | |
O1 | 0.4574 (2) | 0.44644 (15) | 0.75695 (12) | 0.0149 (4) | |
O4 | 0.2751 (2) | 0.84869 (17) | 1.07429 (13) | 0.0191 (4) | |
N1 | 0.7805 (3) | 0.68215 (19) | 0.92579 (15) | 0.0127 (5) | |
O2 | 0.7739 (2) | 0.38137 (18) | 0.73785 (14) | 0.0248 (5) | |
C3 | 0.4394 (3) | 0.6641 (2) | 0.85636 (17) | 0.0111 (5) | |
H3 | 0.3408 | 0.6153 | 0.8619 | 0.013* | |
C4 | 0.4521 (3) | 0.7191 (2) | 0.95378 (17) | 0.0115 (5) | |
C20 | 0.1965 (3) | 1.0952 (2) | 0.55708 (17) | 0.0118 (5) | |
C14 | 0.3787 (3) | 0.7763 (2) | 0.77713 (17) | 0.0107 (5) | |
C25 | 0.2602 (3) | 1.0854 (2) | 0.46091 (18) | 0.0156 (5) | |
H25 | 0.3384 | 1.0037 | 0.4406 | 0.019* | |
C1 | 0.7918 (3) | 0.5861 (2) | 0.86166 (17) | 0.0122 (5) | |
C18 | 0.2529 (3) | 0.8563 (2) | 0.61659 (18) | 0.0141 (5) | |
H18 | 0.2085 | 0.8383 | 0.5569 | 0.017* | |
C5 | 0.6197 (3) | 0.7352 (2) | 0.98050 (17) | 0.0112 (5) | |
C2 | 0.6293 (3) | 0.5673 (2) | 0.83079 (17) | 0.0118 (5) | |
C7 | 0.2713 (3) | 0.7670 (2) | 1.00548 (18) | 0.0136 (5) | |
C21 | 0.0758 (3) | 1.2152 (2) | 0.58379 (18) | 0.0138 (5) | |
H21 | 0.0290 | 1.2231 | 0.6485 | 0.017* | |
C22 | 0.0236 (3) | 1.3226 (2) | 0.51739 (19) | 0.0167 (6) | |
H22 | −0.0601 | 1.4031 | 0.5365 | 0.020* | |
C17 | 0.2607 (3) | 0.9835 (2) | 0.63075 (17) | 0.0107 (5) | |
C16 | 0.3313 (3) | 1.0043 (2) | 0.71876 (18) | 0.0144 (5) | |
H16 | 0.3398 | 1.0897 | 0.7301 | 0.017* | |
C6 | 0.6587 (3) | 0.8067 (2) | 1.06364 (18) | 0.0163 (6) | |
H6A | 0.7962 | 0.7883 | 1.0711 | 0.025* | |
H6B | 0.6033 | 0.7768 | 1.1233 | 0.025* | |
H6C | 0.6021 | 0.9017 | 1.0508 | 0.025* | |
C19 | 0.3093 (3) | 0.7555 (2) | 0.68872 (18) | 0.0139 (5) | |
H19 | 0.3004 | 0.6701 | 0.6776 | 0.017* | |
C15 | 0.3893 (3) | 0.9031 (2) | 0.78989 (18) | 0.0125 (5) | |
H15 | 0.4374 | 0.9204 | 0.8488 | 0.015* | |
C13 | 0.9930 (3) | 0.5135 (3) | 0.8374 (2) | 0.0204 (6) | |
H13A | 1.0506 | 0.5717 | 0.7965 | 0.031* | |
H13B | 0.9946 | 0.4360 | 0.8025 | 0.031* | |
H13C | 1.0654 | 0.4853 | 0.8972 | 0.031* | |
C8 | 0.0994 (3) | 0.9041 (2) | 1.12773 (18) | 0.0152 (5) | |
H8A | 0.0608 | 0.8337 | 1.1667 | 0.018* | |
H8B | −0.0041 | 0.9496 | 1.0825 | 0.018* | |
C10 | 0.6336 (3) | 0.4574 (2) | 0.77147 (18) | 0.0146 (5) | |
C9 | 0.1404 (4) | 1.0005 (2) | 1.19262 (19) | 0.0195 (6) | |
H9A | 0.1838 | 1.0672 | 1.1532 | 0.029* | |
H9B | 0.2395 | 0.9535 | 1.2386 | 0.029* | |
H9C | 0.0246 | 1.0433 | 1.2283 | 0.029* | |
C23 | 0.0929 (4) | 1.3132 (2) | 0.42313 (19) | 0.0177 (6) | |
H23 | 0.0603 | 1.3878 | 0.3781 | 0.021* | |
C24 | 0.2102 (3) | 1.1940 (2) | 0.39484 (19) | 0.0168 (6) | |
H24 | 0.2564 | 1.1868 | 0.3300 | 0.020* | |
C11 | 0.4471 (4) | 0.3420 (2) | 0.69640 (18) | 0.0176 (6) | |
H11A | 0.3249 | 0.3213 | 0.7091 | 0.021* | |
H11B | 0.5507 | 0.2616 | 0.7141 | 0.021* | |
C12 | 0.4631 (4) | 0.3793 (3) | 0.59046 (19) | 0.0245 (6) | |
H12A | 0.4454 | 0.3093 | 0.5526 | 0.037* | |
H12B | 0.5891 | 0.3912 | 0.5763 | 0.037* | |
H12C | 0.3654 | 0.4618 | 0.5733 | 0.037* | |
H1 | 0.893 (4) | 0.696 (3) | 0.9411 (19) | 0.023 (8)* |