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. 2020 Sep 8;76(Pt 10):1617–1623. doi: 10.1107/S2056989020012037
x y z Uiso*/Ueq
O1 0.15097 (18) 0.56820 (10) 0.5040 (3) 0.0233 (4)
O10 0.08596 (17) 0.70330 (9) 0.6331 (3) 0.0221 (4)
O14 0.13825 (19) 0.55047 (11) 0.1764 (4) 0.0299 (5)
O15 0.2504 (2) 0.73924 (11) 0.7780 (4) 0.0338 (5)
C2 0.1964 (2) 0.55372 (12) 0.3251 (5) 0.0227 (6)
C3 0.3271 (2) 0.54399 (13) 0.3346 (5) 0.0238 (6)
H3A 0.3477 0.5027 0.2718 0.029*
H3B 0.3528 0.5427 0.4761 0.029*
C4 0.3912 (2) 0.59802 (13) 0.2261 (4) 0.0221 (6)
H4 0.3547 0.6031 0.0907 0.026*
C5 0.3778 (2) 0.65980 (13) 0.3371 (5) 0.0217 (5)
H5 0.4104 0.6627 0.4679 0.026*
C6 0.3236 (2) 0.71018 (13) 0.2639 (5) 0.0228 (5)
H6 0.2880 0.7067 0.1356 0.027*
C7 0.3150 (3) 0.77242 (14) 0.3707 (5) 0.0249 (6)
H7A 0.3313 0.8074 0.2751 0.030*
H7B 0.3761 0.7740 0.4767 0.030*
C8 0.1937 (3) 0.78283 (13) 0.4646 (5) 0.0236 (6)
H8A 0.1850 0.8280 0.5058 0.028*
H8B 0.1309 0.7730 0.3660 0.028*
C9 0.1814 (3) 0.74016 (13) 0.6434 (5) 0.0231 (6)
C11 0.0719 (2) 0.65729 (13) 0.7937 (4) 0.0227 (6)
H11 0.1511 0.6395 0.8309 0.027*
C12 −0.0051 (3) 0.60478 (14) 0.7118 (5) 0.0249 (6)
H12A −0.0009 0.5679 0.8039 0.030*
H12B −0.0882 0.6199 0.7106 0.030*
C13 0.0263 (2) 0.58247 (14) 0.5055 (5) 0.0252 (6)
H13A −0.0200 0.5439 0.4709 0.030*
H13B 0.0082 0.6161 0.4063 0.030*
C15 0.5218 (2) 0.58492 (13) 0.1992 (4) 0.0215 (5)
C16 0.5869 (2) 0.54591 (13) 0.3230 (5) 0.0238 (6)
H16 0.5477 0.5230 0.4262 0.029*
C17 0.7081 (3) 0.53929 (14) 0.3008 (5) 0.0261 (6)
H17 0.7515 0.5124 0.3885 0.031*
C18 0.7656 (2) 0.57231 (13) 0.1494 (5) 0.0258 (6)
H18 0.8487 0.5678 0.1318 0.031*
C19 0.7017 (3) 0.61141 (14) 0.0255 (5) 0.0260 (6)
H19 0.7411 0.6342 −0.0778 0.031*
C20 0.5811 (3) 0.61804 (14) 0.0487 (5) 0.0250 (6)
H20 0.5382 0.6454 −0.0384 0.030*
C21 0.0176 (3) 0.68939 (15) 0.9724 (5) 0.0283 (6)
H21A 0.0712 0.7226 1.0218 0.043*
H21B 0.0041 0.6578 1.0781 0.043*
H21C −0.0581 0.7087 0.9340 0.043*