Skip to main content
. 2017 Nov 17;73(Pt 12):1889–1897. doi: 10.1107/S2056989017016280
x y z Uiso*/Ueq
S1 0.63595 (3) 0.62560 (8) 0.29847 (2) 0.02560 (15)
O1 0.48087 (9) 0.6728 (2) 0.36508 (7) 0.0205 (3)
N1 0.61175 (11) 0.6959 (2) 0.42674 (8) 0.0176 (3)
H1N 0.6720 (7) 0.683 (3) 0.4295 (11) 0.021*
C1 0.57256 (13) 0.6663 (3) 0.36605 (10) 0.0183 (4)
C2 0.57411 (12) 0.7410 (3) 0.48972 (9) 0.0157 (4)
C3 0.63901 (13) 0.7851 (3) 0.54059 (10) 0.0198 (4)
H3 0.7035 0.7828 0.5318 0.024*
C4 0.60988 (14) 0.8320 (3) 0.60359 (10) 0.0224 (4)
H4 0.6545 0.8604 0.6382 0.027*
C5 0.51590 (14) 0.8380 (3) 0.61691 (10) 0.0214 (4)
H5 0.4963 0.8719 0.6603 0.026*
C6 0.45044 (13) 0.7944 (3) 0.56662 (10) 0.0189 (4)
C7 0.47948 (13) 0.7455 (3) 0.50316 (10) 0.0185 (4)
H7 0.4349 0.7151 0.4688 0.022*
C8 0.34802 (13) 0.8043 (3) 0.58036 (11) 0.0258 (5)
H8A 0.3157 0.6989 0.5576 0.039*
H8B 0.3227 0.9252 0.5637 0.039*
H8C 0.3391 0.7952 0.6287 0.039*
C9 0.43042 (14) 0.6465 (3) 0.30146 (10) 0.0250 (5)
H9A 0.4433 0.5193 0.2827 0.030*
H9B 0.4489 0.7440 0.2687 0.030*
C10 0.33069 (15) 0.6655 (4) 0.31611 (12) 0.0334 (5)
H10A 0.2934 0.6493 0.2747 0.050*
H10B 0.3192 0.7917 0.3349 0.050*
H10C 0.3135 0.5680 0.3485 0.050*
S11 0.85195 (3) 0.66025 (9) 0.45041 (2) 0.02577 (15)
O11 0.99877 (9) 0.7448 (2) 0.37829 (6) 0.0192 (3)
N11 0.86976 (10) 0.6753 (2) 0.31952 (8) 0.0175 (3)
H11N 0.8103 (7) 0.652 (3) 0.3174 (11) 0.021*
C11 0.91055 (13) 0.6951 (3) 0.38026 (10) 0.0185 (4)
C12 0.90609 (12) 0.7096 (3) 0.25516 (9) 0.0156 (4)
C13 0.84323 (12) 0.7751 (3) 0.20604 (9) 0.0179 (4)
H13 0.7802 0.7967 0.2165 0.021*
C14 0.87304 (13) 0.8082 (3) 0.14206 (9) 0.0193 (4)
H14 0.8303 0.8523 0.1084 0.023*
C15 0.96520 (13) 0.7774 (3) 0.12656 (9) 0.0192 (4)
H15 0.9854 0.8019 0.0825 0.023*
C16 1.02797 (13) 0.7108 (3) 0.17527 (10) 0.0177 (4)
C17 0.99808 (13) 0.6749 (3) 0.23923 (9) 0.0176 (4)
H17 1.0404 0.6265 0.2724 0.021*
C18 1.12821 (13) 0.6769 (3) 0.15808 (10) 0.0245 (5)
H18A 1.1566 0.5877 0.1904 0.037*
H18B 1.1622 0.7975 0.1599 0.037*
H18C 1.1308 0.6234 0.1129 0.037*
C19 1.05091 (14) 0.7744 (3) 0.44091 (10) 0.0256 (5)
H19A 1.0493 0.6584 0.4689 0.031*
H19B 1.0238 0.8806 0.4663 0.031*
C20 1.14753 (15) 0.8193 (4) 0.42346 (12) 0.0349 (5)
H20A 1.1840 0.8490 0.4643 0.052*
H20B 1.1477 0.9291 0.3933 0.052*
H20C 1.1750 0.7096 0.4012 0.052*