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. 2010 Jan 9;66(Pt 2):o312–o313. doi: 10.1107/S1600536810000061
x y z Uiso*/Ueq
S1 0.79023 (9) 0.82740 (3) 0.98167 (3) 0.01920 (11)
O1 0.6379 (3) 0.74101 (10) 0.84157 (8) 0.0208 (3)
C1 0.6215 (3) 0.62511 (12) 0.66251 (10) 0.0142 (3)
C2 0.6199 (4) 0.69201 (13) 0.60656 (10) 0.0176 (4)
H2A 0.747 (4) 0.7404 (15) 0.6071 (12) 0.019 (6)*
C3 0.4549 (4) 0.68828 (13) 0.55096 (10) 0.0193 (4)
H3A 0.459 (4) 0.7304 (16) 0.5132 (14) 0.022 (6)*
C4 0.2761 (4) 0.61930 (13) 0.54827 (11) 0.0198 (4)
H4A 0.150 (5) 0.6169 (17) 0.5090 (13) 0.026 (6)*
C5 0.2685 (4) 0.55527 (13) 0.60124 (10) 0.0184 (4)
H5A 0.155 (5) 0.5111 (18) 0.6021 (14) 0.033 (7)*
C6 0.4394 (3) 0.55565 (12) 0.65992 (10) 0.0146 (3)
C7 0.4332 (4) 0.49043 (12) 0.71450 (10) 0.0169 (4)
H7A 0.311 (4) 0.4456 (14) 0.7129 (11) 0.010 (5)*
C8 0.6064 (4) 0.48855 (12) 0.76949 (10) 0.0159 (4)
C9 0.6059 (4) 0.41897 (13) 0.82390 (11) 0.0213 (4)
H9A 0.479 (4) 0.3744 (16) 0.8218 (13) 0.019 (6)*
C10 0.7811 (4) 0.41528 (14) 0.87607 (11) 0.0240 (4)
H10A 0.788 (5) 0.3656 (16) 0.9099 (13) 0.022 (6)*
C11 0.9682 (4) 0.48106 (15) 0.87753 (11) 0.0222 (4)
H11A 1.103 (5) 0.4744 (16) 0.9123 (13) 0.023 (6)*
C12 0.9731 (4) 0.54951 (14) 0.82813 (10) 0.0189 (4)
H12A 1.091 (5) 0.5966 (17) 0.8299 (13) 0.027 (7)*
C13 0.7917 (4) 0.55659 (12) 0.77254 (9) 0.0156 (3)
C14 0.7917 (3) 0.62627 (12) 0.72009 (9) 0.0143 (3)
C15 0.9746 (4) 0.69969 (13) 0.72208 (10) 0.0172 (4)
H15A 1.077 (4) 0.7024 (15) 0.6807 (12) 0.016 (6)*
C16 1.0028 (4) 0.76158 (13) 0.77411 (10) 0.0178 (4)
H16A 1.138 (5) 0.8035 (17) 0.7711 (13) 0.026 (6)*
C17 0.8452 (3) 0.77098 (12) 0.83955 (10) 0.0153 (3)
C18 0.9491 (3) 0.82083 (12) 0.90132 (9) 0.0146 (3)
C19 1.1727 (3) 0.86783 (12) 0.90518 (10) 0.0146 (2)
H19A 1.2863 0.8714 0.8678 0.018*
C20 1.1971 (3) 0.90888 (11) 0.97520 (10) 0.0146 (2)
H20A 1.351 (5) 0.9445 (17) 0.9876 (14) 0.031 (7)*
C21 1.0083 (4) 0.89174 (13) 1.02086 (11) 0.0198 (4)
H21A 0.993 (5) 0.9095 (18) 1.0753 (15) 0.034 (7)*