x | y | z | Uiso*/Ueq | Occ. (<1) | |
C1 | 0.22298 (16) | 0.5733 (3) | 0.30577 (10) | 0.0181 (4) | |
C2 | 0.19154 (16) | 0.5148 (3) | 0.23723 (10) | 0.0218 (5) | |
H2 | 0.2435 | 0.4795 | 0.2189 | 0.026* | |
C3 | 0.08502 (17) | 0.5086 (3) | 0.19644 (11) | 0.0239 (5) | |
H3 | 0.0638 | 0.4695 | 0.1500 | 0.029* | |
C4 | 0.00858 (16) | 0.5596 (3) | 0.22337 (10) | 0.0202 (5) | |
C5 | 0.03873 (16) | 0.6186 (3) | 0.29139 (10) | 0.0204 (5) | |
H5 | −0.0132 | 0.6530 | 0.3099 | 0.024* | |
C6 | 0.14626 (17) | 0.6261 (3) | 0.33158 (10) | 0.0211 (5) | |
H6 | 0.1676 | 0.6683 | 0.3777 | 0.025* | |
C7 | 0.33624 (16) | 0.5860 (3) | 0.35119 (10) | 0.0189 (4) | |
O1 | 0.36934 (12) | 0.6558 (2) | 0.40736 (7) | 0.0245 (4) | |
O2 | 0.40082 (11) | 0.5073 (2) | 0.32137 (7) | 0.0231 (4) | |
C8 | 0.51107 (16) | 0.5074 (3) | 0.35729 (10) | 0.0198 (5) | |
C9 | 0.55644 (17) | 0.4315 (3) | 0.42229 (11) | 0.0218 (5) | |
H9 | 0.5133 | 0.3826 | 0.4453 | 0.026* | |
C10 | 0.66633 (16) | 0.4284 (3) | 0.45304 (11) | 0.0201 (4) | |
H10 | 0.6987 | 0.3783 | 0.4979 | 0.024* | |
C11 | 0.72990 (16) | 0.4980 (3) | 0.41892 (10) | 0.0174 (4) | |
C12 | 0.68191 (16) | 0.5711 (3) | 0.35287 (10) | 0.0191 (4) | |
H12 | 0.7246 | 0.6174 | 0.3291 | 0.023* | |
C13 | 0.57211 (17) | 0.5762 (3) | 0.32203 (10) | 0.0210 (5) | |
H13 | 0.5392 | 0.6262 | 0.2772 | 0.025* | |
C14 | 0.84738 (16) | 0.4969 (3) | 0.45311 (10) | 0.0182 (4) | |
O3 | 0.88859 (12) | 0.4343 (2) | 0.51339 (7) | 0.0257 (4) | |
H3O | 0.9550 | 0.4364 | 0.5257 | 0.038* | 0.50 |
O4 | 0.90241 (12) | 0.5614 (2) | 0.41929 (8) | 0.0258 (4) | |
H4O | 0.9671 | 0.5599 | 0.4443 | 0.039* | 0.50 |
O5 | −0.09388 (11) | 0.5459 (2) | 0.17868 (7) | 0.0249 (4) | |
C15 | −0.17837 (16) | 0.5852 (3) | 0.20264 (10) | 0.0205 (5) | |
H15A | −0.1738 | 0.7146 | 0.2188 | 0.025* | |
H15B | −0.1743 | 0.5023 | 0.2412 | 0.025* | |
C16 | −0.28096 (16) | 0.5541 (3) | 0.14232 (10) | 0.0196 (4) | |
H16A | −0.2839 | 0.4239 | 0.1273 | 0.024* | |
H16B | −0.2814 | 0.6332 | 0.1036 | 0.024* | |
C17 | −0.37919 (16) | 0.5958 (3) | 0.15880 (10) | 0.0214 (5) | |
H17A | −0.3764 | 0.7258 | 0.1740 | 0.026* | |
H17B | −0.3792 | 0.5161 | 0.1973 | 0.026* | |
C18 | −0.48182 (16) | 0.5646 (3) | 0.09742 (10) | 0.0212 (5) | |
H18A | −0.4790 | 0.6383 | 0.0582 | 0.025* | |
H18B | −0.4857 | 0.4329 | 0.0841 | 0.025* | |
C19 | −0.58294 (16) | 0.6147 (3) | 0.10966 (10) | 0.0219 (5) | |
H19A | −0.5865 | 0.5417 | 0.1488 | 0.026* | |
H19B | −0.5806 | 0.7470 | 0.1221 | 0.026* | |
C20 | −0.68233 (16) | 0.5782 (3) | 0.04655 (10) | 0.0205 (5) | |
H20A | −0.6752 | 0.6432 | 0.0068 | 0.025* | |
H20B | −0.6864 | 0.4443 | 0.0364 | 0.025* | |
C21 | −0.78576 (17) | 0.6380 (4) | 0.05333 (11) | 0.0264 (5) | |
H21A | −0.7825 | 0.7718 | 0.0635 | 0.032* | |
H21B | −0.7944 | 0.5718 | 0.0924 | 0.032* | |
C22 | −0.88171 (17) | 0.5991 (3) | −0.01178 (12) | 0.0261 (5) | |
H22A | −0.8708 | 0.6557 | −0.0513 | 0.039* | |
H22B | −0.9456 | 0.6510 | −0.0070 | 0.039* | |
H22C | −0.8904 | 0.4654 | −0.0189 | 0.039* |