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. 2011 Jul 6;67(Pt 8):o1922. doi: 10.1107/S1600536811025803
x y z Uiso*/Ueq
S1 0.190030 (13) 0.38390 (4) 0.542685 (19) 0.02176 (10)
Cl1 0.019191 (13) 0.34916 (5) 0.39368 (3) 0.03607 (12)
O1 0.15205 (3) 0.13842 (11) 0.34074 (5) 0.0218 (2)
N1 0.16509 (4) 0.51514 (13) 0.39437 (6) 0.0155 (2)
N2 0.18602 (4) 0.59175 (14) 0.34375 (6) 0.0168 (2)
N3 0.24120 (4) 0.53762 (13) 0.45809 (6) 0.0157 (2)
N4 0.28746 (4) 0.53417 (16) 0.51708 (7) 0.0214 (3)
C1 0.19819 (5) 0.47776 (16) 0.46471 (7) 0.0155 (3)
C2 0.23249 (5) 0.60456 (15) 0.38496 (7) 0.0159 (3)
C3 0.11395 (4) 0.45895 (16) 0.36740 (7) 0.0158 (3)
H3 0.1105 0.3619 0.4024 0.019*
C4 0.10039 (5) 0.38305 (16) 0.28491 (7) 0.0175 (3)
H4C 0.0647 0.3617 0.2643 0.021*
H4D 0.1083 0.4716 0.2510 0.021*
C5 0.12692 (4) 0.21139 (16) 0.28159 (7) 0.0159 (3)
C6 0.11887 (4) 0.13029 (16) 0.20350 (7) 0.0159 (3)
C7 0.12856 (4) −0.05123 (17) 0.20020 (8) 0.0188 (3)
H7 0.1405 −0.1181 0.2468 0.023*
C8 0.12069 (5) −0.13266 (17) 0.12925 (8) 0.0217 (3)
H8 0.1269 −0.2557 0.1273 0.026*
C9 0.10383 (5) −0.03574 (19) 0.06100 (8) 0.0255 (3)
H9 0.0985 −0.0924 0.0125 0.031*
C10 0.09476 (5) 0.14466 (19) 0.06362 (8) 0.0255 (3)
H10 0.0837 0.2115 0.0170 0.031*
C11 0.10196 (5) 0.22674 (18) 0.13465 (8) 0.0206 (3)
H11 0.0953 0.3494 0.1363 0.025*
C12 0.07870 (5) 0.60609 (16) 0.36975 (7) 0.0163 (3)
C13 0.03355 (5) 0.56770 (17) 0.37776 (8) 0.0216 (3)
C14 −0.00095 (5) 0.69742 (19) 0.37456 (9) 0.0270 (3)
H14 −0.0313 0.6667 0.3801 0.032*
C15 0.00937 (5) 0.87208 (18) 0.36319 (8) 0.0249 (3)
H15 −0.0141 0.9619 0.3602 0.030*
C16 0.05417 (5) 0.91481 (18) 0.35614 (8) 0.0227 (3)
H16 0.0614 1.0345 0.3485 0.027*
C17 0.08856 (5) 0.78348 (17) 0.36023 (7) 0.0196 (3)
H17 0.1194 0.8153 0.3565 0.024*
C18 0.27199 (5) 0.67570 (18) 0.35804 (8) 0.0203 (3)
H18A 0.2920 0.5760 0.3503 0.024*
H18B 0.2936 0.7530 0.3990 0.024*
C19 0.25249 (5) 0.7808 (2) 0.28262 (9) 0.0284 (3)
H19A 0.2305 0.7060 0.2420 0.043*
H19B 0.2799 0.8195 0.2666 0.043*
H19C 0.2345 0.8845 0.2908 0.043*
H4A 0.3003 (6) 0.425 (2) 0.5136 (10) 0.040 (5)*
H4B 0.2814 (6) 0.522 (2) 0.5616 (10) 0.035 (5)*