x | y | z | Uiso*/Ueq | ||
O1 | 0.7861 (3) | 0.24084 (11) | −0.0065 (2) | 0.0216 (6) | |
O2 | 0.8041 (3) | 0.28421 (11) | 0.3142 (2) | 0.0235 (6) | |
N1 | 0.4493 (3) | 0.26282 (13) | −0.0175 (2) | 0.0195 (7) | |
N2 | 1.0989 (4) | 0.21659 (13) | 0.3653 (2) | 0.0220 (7) | |
C1 | 0.6269 (4) | 0.22638 (15) | 0.0296 (3) | 0.0171 (7) | |
C2 | 0.6276 (4) | 0.16096 (14) | 0.1249 (3) | 0.0168 (7) | |
C3 | 0.5027 (4) | 0.10057 (15) | 0.0751 (3) | 0.0189 (7) | |
C4 | 0.5113 (4) | 0.03795 (16) | 0.1583 (3) | 0.0235 (8) | |
C5 | 0.6447 (4) | 0.03548 (15) | 0.2915 (3) | 0.0211 (8) | |
C6 | 0.7738 (4) | 0.09499 (15) | 0.3414 (3) | 0.0200 (7) | |
C7 | 0.7675 (4) | 0.15789 (14) | 0.2577 (3) | 0.0171 (7) | |
C8 | 0.8934 (4) | 0.22495 (16) | 0.3135 (3) | 0.0189 (7) | |
C9 | 0.4327 (5) | 0.32006 (16) | −0.1231 (3) | 0.0244 (8) | |
C10 | 0.2644 (4) | 0.25242 (16) | 0.0331 (3) | 0.0232 (8) | |
C11 | 1.2112 (4) | 0.14818 (17) | 0.3610 (3) | 0.0261 (8) | |
C12 | 1.2221 (5) | 0.27854 (19) | 0.4338 (3) | 0.0312 (9) | |
O3 | 0.1819 (3) | 0.12996 (12) | 0.7353 (2) | 0.0259 (6) | |
O4 | −0.0391 (4) | −0.02611 (13) | 0.5606 (2) | 0.0358 (7) | |
N3 | −0.1580 (3) | 0.14947 (12) | 0.7148 (2) | 0.0186 (6) | |
N4 | 0.2973 (4) | −0.05367 (13) | 0.6492 (3) | 0.0258 (8) | |
C13 | 0.0169 (4) | 0.11065 (15) | 0.7583 (3) | 0.0188 (7) | |
C14 | 0.0152 (4) | 0.04326 (15) | 0.8474 (3) | 0.0180 (7) | |
C15 | −0.0313 (4) | 0.05018 (16) | 0.9770 (3) | 0.0209 (8) | |
C16 | −0.0171 (5) | −0.01003 (17) | 1.0661 (3) | 0.0224 (8) | |
C17 | 0.0435 (4) | −0.07820 (16) | 1.0259 (3) | 0.0209 (8) | |
C18 | 0.0923 (4) | −0.08572 (14) | 0.8968 (3) | 0.0206 (7) | |
C19 | 0.0795 (4) | −0.02558 (15) | 0.8073 (3) | 0.0189 (7) | |
C20 | 0.1098 (5) | −0.03514 (15) | 0.6626 (3) | 0.0235 (8) | |
C21 | −0.1553 (5) | 0.22148 (16) | 0.6495 (3) | 0.0244 (8) | |
C22 | −0.3615 (4) | 0.12250 (17) | 0.7172 (3) | 0.0243 (8) | |
C23 | 0.3187 (7) | −0.0733 (2) | 0.5096 (4) | 0.0426 (13) | |
C24 | 0.4731 (5) | −0.06937 (18) | 0.7671 (3) | 0.0292 (9) | |
H3 | 0.41290 | 0.10210 | −0.01430 | 0.0230* | |
H4 | 0.42730 | −0.00230 | 0.12440 | 0.0280* | |
H5 | 0.64820 | −0.00600 | 0.34780 | 0.0250* | |
H6 | 0.86440 | 0.09290 | 0.43050 | 0.0240* | |
H9A | 0.56090 | 0.32440 | −0.14820 | 0.0370* | |
H9B | 0.40060 | 0.36620 | −0.08570 | 0.0370* | |
H9C | 0.32570 | 0.30750 | −0.20520 | 0.0370* | |
H10A | 0.29320 | 0.21810 | 0.11010 | 0.0350* | |
H10B | 0.15540 | 0.23350 | −0.04200 | 0.0350* | |
H10C | 0.22350 | 0.29890 | 0.06420 | 0.0350* | |
H11A | 1.13770 | 0.11860 | 0.28320 | 0.0390* | |
H11B | 1.22450 | 0.12150 | 0.44730 | 0.0390* | |
H11C | 1.34530 | 0.15940 | 0.34950 | 0.0390* | |
H12A | 1.13530 | 0.32080 | 0.43170 | 0.0470* | |
H12B | 1.32500 | 0.28980 | 0.38510 | 0.0470* | |
H12C | 1.28750 | 0.26590 | 0.52980 | 0.0470* | |
H15 | −0.07230 | 0.09570 | 1.00410 | 0.0250* | |
H16 | −0.04820 | −0.00480 | 1.15250 | 0.0270* | |
H17 | 0.05160 | −0.11880 | 1.08500 | 0.0250* | |
H18 | 0.13380 | −0.13130 | 0.87050 | 0.0250* | |
H21A | −0.01970 | 0.23140 | 0.63960 | 0.0370* | |
H21B | −0.19320 | 0.25870 | 0.70760 | 0.0370* | |
H21C | −0.25120 | 0.22170 | 0.55830 | 0.0370* | |
H22A | −0.34750 | 0.07910 | 0.77490 | 0.0360* | |
H22B | −0.43820 | 0.11070 | 0.62300 | 0.0360* | |
H22C | −0.43260 | 0.16000 | 0.75520 | 0.0360* | |
H23A | 0.22120 | −0.04580 | 0.43950 | 0.0640* | |
H23B | 0.29370 | −0.12510 | 0.49400 | 0.0640* | |
H23C | 0.45540 | −0.06180 | 0.50360 | 0.0640* | |
H24A | 0.47420 | −0.12090 | 0.79030 | 0.0440* | |
H24B | 0.46360 | −0.04050 | 0.84720 | 0.0440* | |
H24C | 0.59760 | −0.05710 | 0.74170 | 0.0440* |