| x | y | z | Uiso*/Ueq | ||
| O11 | 0.13984 (7) | 0.39931 (4) | 0.51267 (8) | 0.0167 (2) | |
| O14 | 0.14523 (8) | 0.46234 (5) | 0.86202 (8) | 0.0239 (2) | |
| O121 | 0.18698 (7) | 0.26721 (4) | 0.47772 (8) | 0.0186 (2) | |
| O122 | 0.13729 (7) | 0.23141 (4) | 0.63468 (8) | 0.0162 (2) | |
| C12 | 0.14765 (9) | 0.35255 (6) | 0.60658 (11) | 0.0153 (3) | |
| C13 | 0.14901 (9) | 0.37041 (6) | 0.72208 (11) | 0.0161 (3) | |
| H13 | 0.1540 | 0.3344 | 0.7827 | 0.019* | |
| C14 | 0.14293 (10) | 0.44401 (6) | 0.75658 (11) | 0.0166 (3) | |
| C14A | 0.13289 (9) | 0.49463 (6) | 0.65301 (11) | 0.0150 (2) | |
| C15 | 0.12422 (9) | 0.56769 (6) | 0.66738 (11) | 0.0156 (3) | |
| H15 | 0.1247 | 0.5855 | 0.7462 | 0.019* | |
| C16 | 0.11494 (9) | 0.61435 (6) | 0.56912 (11) | 0.0147 (2) | |
| C17 | 0.11434 (10) | 0.58625 (6) | 0.45309 (11) | 0.0171 (3) | |
| H17 | 0.1084 | 0.6175 | 0.3849 | 0.021* | |
| C18 | 0.12206 (10) | 0.51512 (7) | 0.43612 (11) | 0.0176 (3) | |
| H18 | 0.1209 | 0.4972 | 0.3571 | 0.021* | |
| C18A | 0.13157 (9) | 0.46978 (6) | 0.53635 (11) | 0.0150 (3) | |
| C121 | 0.15961 (9) | 0.27911 (6) | 0.56400 (11) | 0.0152 (3) | |
| C122 | 0.16128 (10) | 0.15886 (6) | 0.61422 (11) | 0.0173 (3) | |
| H12A | 0.2328 | 0.1535 | 0.6384 | 0.021* | |
| H12B | 0.1288 | 0.1457 | 0.5235 | 0.021* | |
| C123 | 0.12554 (11) | 0.11295 (6) | 0.69613 (12) | 0.0222 (3) | |
| H12C | 0.1445 | 0.0639 | 0.6900 | 0.033* | |
| H12D | 0.0542 | 0.1162 | 0.6671 | 0.033* | |
| H12E | 0.1546 | 0.1287 | 0.7848 | 0.033* | |
| C161 | 0.10558 (9) | 0.69191 (6) | 0.58084 (11) | 0.0141 (2) | |
| C162 | 0.14423 (9) | 0.73832 (6) | 0.51543 (11) | 0.0160 (3) | |
| H162 | 0.1776 | 0.7200 | 0.4645 | 0.019* | |
| C163 | 0.13461 (9) | 0.81085 (6) | 0.52375 (11) | 0.0168 (3) | |
| H163 | 0.1612 | 0.8412 | 0.4779 | 0.020* | |
| C164 | 0.08671 (9) | 0.83989 (6) | 0.59792 (11) | 0.0162 (3) | |
| C165 | 0.04831 (9) | 0.79352 (6) | 0.66303 (11) | 0.0164 (3) | |
| H165 | 0.0150 | 0.8120 | 0.7140 | 0.020* | |
| C166 | 0.05741 (9) | 0.72085 (6) | 0.65533 (11) | 0.0157 (3) | |
| H166 | 0.0306 | 0.6906 | 0.7011 | 0.019* | |
| C167 | 0.07977 (10) | 0.91884 (6) | 0.60848 (12) | 0.0208 (3) | |
| H16A | 0.0176 | 0.9310 | 0.6167 | 0.031* | |
| H16B | 0.0831 | 0.9412 | 0.5320 | 0.031* | |
| H16C | 0.1341 | 0.9356 | 0.6836 | 0.031* | |
| O21 | 0.36690 (7) | 0.39338 (4) | 0.38688 (8) | 0.0173 (2) | |
| O24 | 0.39990 (8) | 0.46146 (5) | 0.74405 (8) | 0.0256 (2) | |
| O221 | 0.34285 (7) | 0.25860 (4) | 0.32365 (8) | 0.0197 (2) | |
| O222 | 0.39836 (7) | 0.22764 (4) | 0.53103 (8) | 0.0170 (2) | |
| C22 | 0.37715 (9) | 0.34766 (6) | 0.48321 (11) | 0.0151 (3) | |
| C23 | 0.38783 (9) | 0.36726 (6) | 0.60153 (11) | 0.0166 (3) | |
| H23 | 0.3942 | 0.3321 | 0.6639 | 0.020* | |
| C24 | 0.38986 (10) | 0.44161 (6) | 0.63652 (11) | 0.0170 (3) | |
| C24A | 0.37849 (9) | 0.49097 (6) | 0.53085 (11) | 0.0152 (3) | |
| C25 | 0.37738 (9) | 0.56447 (6) | 0.54600 (11) | 0.0155 (3) | |
| H25 | 0.3850 | 0.5832 | 0.6270 | 0.019* | |
| C26 | 0.36546 (9) | 0.61053 (6) | 0.44566 (11) | 0.0154 (3) | |
| C27 | 0.35322 (10) | 0.58073 (6) | 0.32652 (12) | 0.0182 (3) | |
| H27 | 0.3446 | 0.6111 | 0.2564 | 0.022* | |
| C28 | 0.35334 (10) | 0.50898 (7) | 0.30850 (12) | 0.0190 (3) | |
| H28 | 0.3444 | 0.4901 | 0.2271 | 0.023* | |
| C28A | 0.36677 (9) | 0.46452 (6) | 0.41131 (11) | 0.0159 (3) | |
| C221 | 0.37034 (9) | 0.27309 (6) | 0.43493 (11) | 0.0156 (3) | |
| C222 | 0.38561 (10) | 0.15314 (6) | 0.49520 (11) | 0.0187 (3) | |
| H22A | 0.4129 | 0.1431 | 0.4289 | 0.022* | |
| H22B | 0.3154 | 0.1405 | 0.4615 | 0.022* | |
| C223 | 0.43928 (11) | 0.11188 (7) | 0.61367 (12) | 0.0211 (3) | |
| H22C | 0.4313 | 0.0613 | 0.5947 | 0.032* | |
| H22D | 0.4127 | 0.1233 | 0.6791 | 0.032* | |
| H22E | 0.5089 | 0.1240 | 0.6446 | 0.032* | |
| C261 | 0.36521 (9) | 0.68856 (6) | 0.46004 (11) | 0.0146 (3) | |
| C262 | 0.31923 (9) | 0.73240 (6) | 0.35536 (11) | 0.0163 (3) | |
| H262 | 0.2869 | 0.7120 | 0.2738 | 0.020* | |
| C263 | 0.31995 (9) | 0.80523 (6) | 0.36846 (11) | 0.0167 (3) | |
| H263 | 0.2885 | 0.8336 | 0.2955 | 0.020* | |
| C264 | 0.36574 (9) | 0.83778 (6) | 0.48628 (11) | 0.0165 (3) | |
| C265 | 0.41121 (10) | 0.79387 (6) | 0.59067 (11) | 0.0175 (3) | |
| H265 | 0.4428 | 0.8144 | 0.6723 | 0.021* | |
| C266 | 0.41138 (9) | 0.72107 (7) | 0.57822 (11) | 0.0166 (3) | |
| H266 | 0.4434 | 0.6928 | 0.6512 | 0.020* | |
| C267 | 0.36524 (11) | 0.91687 (6) | 0.49995 (12) | 0.0211 (3) | |
| H26A | 0.3662 | 0.9391 | 0.4221 | 0.032* | |
| H26B | 0.4231 | 0.9316 | 0.5725 | 0.032* | |
| H26C | 0.3061 | 0.9313 | 0.5141 | 0.032* |