x | y | z | Uiso*/Ueq | ||
O1 | 0.01466 (6) | 0.43636 (7) | 0.13158 (8) | 0.0335 (2) | |
O2 | 0.11775 (6) | 0.53207 (7) | 0.08370 (9) | 0.0330 (2) | |
H2A | 0.0747 (10) | 0.5405 (15) | 0.0145 (12) | 0.059 (6)* | |
O3 | 0.15617 (8) | 0.23912 (8) | 0.24312 (9) | 0.0428 (3) | |
C1 | 0.11190 (8) | 0.51281 (10) | 0.51675 (12) | 0.0287 (3) | |
C2 | 0.13778 (9) | 0.52531 (10) | 0.64944 (13) | 0.0319 (3) | |
H2 | 0.149625 | 0.466767 | 0.703342 | 0.038* | |
C3 | 0.14645 (10) | 0.62214 (11) | 0.70370 (14) | 0.0381 (3) | |
H3 | 0.165783 | 0.629690 | 0.794220 | 0.046* | |
C4 | 0.12690 (10) | 0.70747 (11) | 0.62572 (16) | 0.0425 (4) | |
H4 | 0.134096 | 0.773842 | 0.662664 | 0.051* | |
C5 | 0.09682 (11) | 0.69635 (11) | 0.49382 (16) | 0.0425 (4) | |
H5 | 0.081391 | 0.755016 | 0.440322 | 0.051* | |
C6 | 0.08917 (9) | 0.59974 (11) | 0.43962 (14) | 0.0352 (3) | |
H6 | 0.068235 | 0.592658 | 0.349008 | 0.042* | |
C7 | 0.11215 (9) | 0.40800 (10) | 0.46866 (12) | 0.0283 (3) | |
H7 | 0.093428 | 0.356028 | 0.514695 | 0.034* | |
C8 | 0.13551 (8) | 0.37633 (10) | 0.36773 (11) | 0.0277 (3) | |
C9 | 0.16595 (9) | 0.44565 (10) | 0.28089 (12) | 0.0296 (3) | |
H9A | 0.189225 | 0.510133 | 0.326857 | 0.036* | |
H9B | 0.216439 | 0.412547 | 0.259955 | 0.036* | |
C10 | 0.09137 (9) | 0.47015 (9) | 0.15870 (11) | 0.0263 (3) | |
C11 | 0.13621 (9) | 0.26565 (10) | 0.33666 (12) | 0.0308 (3) | |
C12 | 0.11327 (11) | 0.18699 (11) | 0.42061 (14) | 0.0390 (3) | |
H12A | 0.051375 | 0.198520 | 0.421374 | 0.059* | |
H12B | 0.155908 | 0.192707 | 0.508058 | 0.059* | |
H12C | 0.117594 | 0.118474 | 0.387117 | 0.059* | |
O4 | 0.49089 (6) | 0.43991 (8) | 0.62632 (9) | 0.0363 (2) | |
O5 | 0.38438 (7) | 0.52938 (8) | 0.47860 (9) | 0.0362 (2) | |
H5A | 0.4271 (11) | 0.5378 (16) | 0.4462 (19) | 0.068 (6)* | |
O6 | 0.35094 (8) | 0.24526 (8) | 0.60897 (9) | 0.0465 (3) | |
C13 | 0.37323 (9) | 0.51643 (11) | 0.91953 (12) | 0.0321 (3) | |
C14 | 0.33171 (10) | 0.52973 (12) | 1.01313 (14) | 0.0390 (3) | |
H14 | 0.312493 | 0.471674 | 1.049168 | 0.047* | |
C15 | 0.31836 (11) | 0.62700 (13) | 1.05381 (16) | 0.0465 (4) | |
H15 | 0.289284 | 0.635179 | 1.116582 | 0.056* | |
C16 | 0.34705 (11) | 0.71187 (12) | 1.00363 (16) | 0.0484 (4) | |
H16 | 0.336386 | 0.778415 | 1.030129 | 0.058* | |
C17 | 0.39153 (11) | 0.69983 (12) | 0.91436 (15) | 0.0446 (4) | |
H17 | 0.412634 | 0.758112 | 0.881168 | 0.053* | |
C18 | 0.40518 (10) | 0.60291 (11) | 0.87360 (14) | 0.0376 (3) | |
H18 | 0.436686 | 0.595157 | 0.813635 | 0.045* | |
C19 | 0.38059 (9) | 0.41173 (10) | 0.87494 (13) | 0.0313 (3) | |
H19 | 0.395855 | 0.359823 | 0.938630 | 0.038* | |
C20 | 0.36805 (9) | 0.38144 (10) | 0.75365 (12) | 0.0302 (3) | |
C21 | 0.34049 (9) | 0.45106 (11) | 0.63929 (12) | 0.0314 (3) | |
H21A | 0.288072 | 0.420238 | 0.572571 | 0.038* | |
H21B | 0.320109 | 0.516898 | 0.664775 | 0.038* | |
C22 | 0.41342 (9) | 0.47210 (10) | 0.58225 (12) | 0.0287 (3) | |
C23 | 0.37236 (9) | 0.27147 (11) | 0.72132 (13) | 0.0339 (3) | |
C24 | 0.40272 (11) | 0.19335 (11) | 0.82582 (15) | 0.0418 (3) | |
H24A | 0.399988 | 0.125163 | 0.787939 | 0.063* | |
H24B | 0.362870 | 0.195663 | 0.878428 | 0.063* | |
H24C | 0.465178 | 0.208109 | 0.879500 | 0.063* |