Skip to main content
. 2010 Dec 8;67(Pt 1):m44–m45. doi: 10.1107/S1600536810050555
x y z Uiso*/Ueq Occ. (<1)
Y1 0.60986 (6) 0.54621 (5) 0.67714 (5) 0.0325 (3)
O1 0.5003 (5) 0.3303 (4) 0.5952 (4) 0.0458 (12)
O2 0.7957 (6) 0.4535 (6) 0.7557 (5) 0.0777 (17)
O3 0.6664 (4) 0.5086 (4) 0.5242 (4) 0.0489 (12)
O4 0.8360 (5) 0.7070 (5) 0.7643 (5) 0.0628 (15)
O5 0.5711 (5) 0.7170 (4) 0.5974 (4) 0.0429 (11)
O6 0.6807 (5) 0.7297 (4) 0.8365 (4) 0.0512 (13)
O7 0.3832 (5) 0.5508 (4) 0.6623 (5) 0.0497 (12)
O8 0.5809 (6) 0.4663 (5) 0.8289 (5) 0.0664 (16)
C1 0.5309 (7) 0.7437 (6) 0.5023 (7) 0.0425 (18)
C2 0.5175 (7) 0.8788 (6) 0.5026 (6) 0.0450 (18)
C3 0.5023 (8) 0.9231 (7) 0.4060 (6) 0.054 (2)
H3 0.5042 0.8702 0.3407 0.064* 0.70
C4 0.5155 (8) 0.9569 (6) 0.5979 (6) 0.0504 (19)
H4 0.5264 0.9278 0.6654 0.060* 0.80
C5 0.8016 (8) 0.7688 (7) 0.8353 (6) 0.0481 (19)
C6 0.9007 (8) 0.8887 (6) 0.9175 (6) 0.0507 (19)
C7 1.0407 (9) 0.9239 (8) 0.9287 (7) 0.075 (3)
H7 1.0708 0.8716 0.8812 0.090* 0.75
C8 0.8620 (8) 0.9631 (8) 0.9897 (7) 0.071 (2)
H8 0.7680 0.9386 0.9851 0.085* 0.75
C9 0.7040 (8) 0.4813 (6) 0.4410 (8) 0.0452 (18)
C10 0.8564 (7) 0.4903 (6) 0.4706 (6) 0.0426 (18)
C11 0.9565 (8) 0.5420 (7) 0.5837 (6) 0.052 (2)
H11 0.9267 0.5707 0.6424 0.062*
C12 0.9036 (7) 0.4478 (7) 0.3883 (6) 0.052 (2)
H12 0.8372 0.4107 0.3106 0.062* 0.50
C13 0.8097 (13) 0.3559 (13) 0.7616 (12) 0.146 (6)
H13 0.7299 0.2897 0.7062 0.175*
C14 0.8993 (18) 0.1782 (16) 0.8060 (19) 0.234 (10)
H14A 0.9844 0.1670 0.8638 0.351* 0.50
H14B 0.8939 0.1452 0.7286 0.351* 0.50
H14C 0.8149 0.1314 0.8132 0.351* 0.50
H14D 0.8111 0.1288 0.7399 0.351* 0.50
H14E 0.9016 0.1505 0.8752 0.351* 0.50
H14F 0.9806 0.1643 0.7905 0.351* 0.50
C15 1.042 (3) 0.393 (2) 0.903 (2) 0.39 (2)
H15A 1.1003 0.3414 0.9425 0.590* 0.50
H15B 1.0311 0.4561 0.9592 0.590* 0.50
H15C 1.0882 0.4364 0.8598 0.590* 0.50
H15D 1.0461 0.4812 0.8985 0.590* 0.50
H15E 1.1153 0.3666 0.8818 0.590* 0.50
H15F 1.0582 0.3862 0.9812 0.590* 0.50
C16 0.4818 (15) 0.3945 (12) 0.8288 (9) 0.103 (3)
H16 0.3967 0.3770 0.7615 0.124*
C17 0.595 (2) 0.3593 (16) 1.0148 (12) 0.195 (8)
H17A 0.5719 0.3094 1.0652 0.292* 0.50
H17B 0.6263 0.4506 1.0539 0.292* 0.50
H17C 0.6713 0.3351 0.9974 0.292* 0.50
H17D 0.6744 0.4206 1.0125 0.292* 0.50
H17E 0.6200 0.2794 1.0237 0.292* 0.50
H17F 0.5750 0.3949 1.0802 0.292* 0.50
C18 0.354 (2) 0.2376 (18) 0.9021 (16) 0.244 (11)
H18A 0.3789 0.2133 0.9755 0.366* 0.50
H18B 0.3319 0.1625 0.8395 0.366* 0.50
H18C 0.2707 0.2706 0.8872 0.366* 0.50
H18D 0.2754 0.2176 0.8260 0.366* 0.50
H18E 0.3225 0.2684 0.9620 0.366* 0.50
H18F 0.3836 0.1604 0.9143 0.366* 0.50
N1 0.7183 (19) 0.959 (3) 0.972 (4) 0.137 (12) 0.228 (9)
H1A 0.6474 0.9049 0.9113 0.165* 0.228 (9)
H1B 0.7011 1.0097 1.0227 0.165* 0.228 (9)
N1A 1.101 (3) 0.857 (3) 0.862 (3) 0.137 (12) 0.272 (9)
H1A1 1.0485 0.7865 0.8076 0.165* 0.272 (9)
H1A2 1.1912 0.8867 0.8752 0.165* 0.272 (9)
N2 0.8114 (13) 0.3877 (17) 0.2719 (10) 0.111 (7) 0.50
H2A 0.8456 0.3596 0.2226 0.134* 0.50
H2B 0.7196 0.3783 0.2487 0.134* 0.50
N3 0.5205 (18) 0.9180 (14) 0.7009 (11) 0.079 (6) 0.424 (9)
H3A 0.5124 0.9699 0.7563 0.094* 0.424 (9)
H3B 0.5317 0.8424 0.7082 0.094* 0.424 (9)
N3A 0.499 (10) 0.857 (7) 0.299 (4) 0.079 (6) 0.076 (9)
H3A1 0.5078 0.7784 0.2905 0.094* 0.076 (9)
H3A2 0.4890 0.8945 0.2426 0.094* 0.076 (9)
N4 0.4703 (14) 0.3341 (10) 0.9082 (10) 0.143 (4)
N5 0.9061 (13) 0.3113 (12) 0.8242 (12) 0.157 (5)