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)* |