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. 2016 Jan 1;72(Pt 1):8–13. doi: 10.1107/S2056989015022781
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*