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. 2022 May 13;78(Pt 6):563–567. doi: 10.1107/S2056989022004789
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*