x | y | z | Uiso*/Ueq | Occ. (<1) | |
O1 | 0.5327 (4) | 0.35893 (4) | 0.3196 (2) | 0.0173 (4) | |
H1o | 0.476 (7) | 0.3392 (4) | 0.338 (5) | 0.039 (9)* | |
O2 | 0.2892 (4) | 0.31121 (4) | 0.4610 (3) | 0.0200 (4) | |
O3 | 0.0049 (4) | 0.39767 (4) | 0.9709 (2) | 0.0189 (4) | |
O4 | 0.5244 (4) | 0.46858 (4) | 0.5956 (3) | 0.0202 (4) | |
H4o | 0.601 (8) | 0.4724 (9) | 0.503 (4) | 0.051 (11)* | |
O5 | 0.777 (3) | 0.45857 (15) | 0.3246 (15) | 0.027 (2) | 0.50 |
O5' | 0.694 (3) | 0.46028 (15) | 0.2862 (15) | 0.027 (2) | 0.50 |
C1 | 0.4569 (5) | 0.43535 (6) | 0.5813 (3) | 0.0144 (5) | |
C2 | 0.3075 (5) | 0.42345 (6) | 0.7145 (3) | 0.0137 (5) | |
H2 | 0.2585 | 0.4386 | 0.8052 | 0.016* | |
C3 | 0.2318 (5) | 0.38992 (6) | 0.7142 (3) | 0.0129 (5) | |
C4 | 0.0737 (5) | 0.37804 (6) | 0.8575 (3) | 0.0135 (5) | |
C5 | 0.0051 (5) | 0.34142 (6) | 0.8590 (3) | 0.0139 (5) | |
C6 | −0.1291 (5) | 0.32923 (6) | 0.9985 (4) | 0.0183 (5) | |
H6 | −0.1774 | 0.3443 | 1.0900 | 0.022* | |
C7 | −0.1917 (6) | 0.29523 (6) | 1.0034 (4) | 0.0217 (5) | |
H7 | −0.2798 | 0.2869 | 1.1001 | 0.026* | |
C8 | −0.1268 (6) | 0.27307 (6) | 0.8677 (4) | 0.0229 (6) | |
H8 | −0.1728 | 0.2498 | 0.8707 | 0.028* | |
C9 | 0.0054 (6) | 0.28509 (6) | 0.7283 (4) | 0.0203 (5) | |
H9 | 0.0490 | 0.2700 | 0.6352 | 0.024* | |
C10 | 0.0745 (5) | 0.31922 (6) | 0.7240 (3) | 0.0146 (5) | |
C11 | 0.2280 (5) | 0.33153 (6) | 0.5794 (3) | 0.0141 (5) | |
C12 | 0.3044 (5) | 0.36698 (6) | 0.5816 (3) | 0.0132 (5) | |
C13 | 0.4545 (5) | 0.37961 (6) | 0.4486 (3) | 0.0129 (5) | |
C14 | 0.5296 (5) | 0.41375 (6) | 0.4458 (3) | 0.0131 (5) | |
C15 | 0.6804 (5) | 0.42442 (6) | 0.2919 (3) | 0.0153 (5) | |
H15A | 0.8555 | 0.4097 | 0.3022 | 0.018* | 0.50 |
H15B | 0.5378 | 0.4220 | 0.1551 | 0.018* | 0.50 |
H15C | 0.8858 | 0.4149 | 0.3277 | 0.018* | 0.50 |
H15D | 0.5654 | 0.4157 | 0.1578 | 0.018* | 0.50 |
C16 | 0.8677 (6) | 0.47240 (6) | 0.1631 (4) | 0.0221 (6) | |
H16A | 0.9308 | 0.4958 | 0.1938 | 0.033* | 0.50 |
H16B | 0.6989 | 0.4716 | 0.0390 | 0.033* | 0.50 |
H16C | 1.0357 | 0.4592 | 0.1459 | 0.033* | 0.50 |
H16D | 0.9262 | 0.4958 | 0.1984 | 0.033* | 0.50 |
H16E | 0.7474 | 0.4711 | 0.0215 | 0.033* | 0.50 |
H16F | 1.0482 | 0.4585 | 0.1853 | 0.033* | 0.50 |