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. 2008 Nov 22;64(Pt 12):o2410. doi: 10.1107/S1600536808037665
x y z Uiso*/Ueq Occ. (<1)
S1 0.58719 (14) 0.77701 (8) 0.00117 (5) 0.0601 (3)
O1 0.2519 (4) 1.00117 (19) −0.08466 (12) 0.0567 (7)
O2 1.1731 (3) 0.55542 (18) 0.07064 (12) 0.0517 (7)
N1 0.3847 (5) 1.0267 (3) −0.21200 (16) 0.0621 (9)
N2 0.8447 (4) 0.5523 (2) 0.13353 (16) 0.0568 (9)
C1 −0.1548 (7) 1.4283 (4) −0.4007 (3) 0.0955 (17)
C2 −0.3823 (7) 1.2682 (4) −0.3939 (2) 0.0812 (14)
C3 −0.4984 (8) 1.4230 (4) −0.3198 (3) 0.0971 (17)
C4 −0.2957 (6) 1.3431 (3) −0.34509 (19) 0.0553 (10)
C5 −0.1536 (5) 1.2540 (3) −0.27123 (18) 0.0509 (10)
C6 0.0494 (5) 1.1872 (3) −0.28414 (18) 0.0563 (10)
C7 0.1771 (5) 1.1053 (3) −0.21673 (18) 0.0513 (10)
C8 0.0973 (5) 1.0894 (3) −0.13912 (17) 0.0502 (10)
C9 −0.1032 (6) 1.1522 (3) −0.1232 (2) 0.0639 (11)
C10 −0.2260 (6) 1.2345 (3) −0.19051 (19) 0.0589 (11)
C11 0.4174 (5) 0.9704 (3) −0.13440 (18) 0.0522 (10)
C12 0.6087 (5) 0.8788 (3) −0.09425 (18) 0.0520 (10)
C13 0.8153 (6) 0.8580 (3) −0.12375 (19) 0.0567 (11)
C14 0.9600 (6) 0.7598 (3) −0.06945 (19) 0.0549 (11)
C15 0.8597 (5) 0.7069 (3) 0.00045 (18) 0.0506 (10)
C16 0.9503 (5) 0.6044 (3) 0.07071 (19) 0.0501 (10)
C17 1.2069 (5) 0.4605 (3) 0.14351 (17) 0.0472 (9)
C18 1.0079 (5) 0.4580 (3) 0.18216 (18) 0.0482 (10)
C19 0.9930 (5) 0.3697 (3) 0.25628 (18) 0.0545 (10)
C20 1.1818 (5) 0.2826 (3) 0.29081 (18) 0.0506 (10)
C21 1.3811 (5) 0.2891 (3) 0.24862 (19) 0.0562 (11)
C22 1.4005 (5) 0.3778 (3) 0.17496 (19) 0.0543 (10)
C23 1.1718 (5) 0.1827 (3) 0.37112 (19) 0.0642 (11)
C24 1.3987 (10) 0.1150 (10) 0.4102 (6) 0.163 (4) 0.539 (8)
C25 1.0524 (16) 0.0853 (6) 0.3523 (4) 0.098 (3) 0.539 (8)
C26 1.0314 (17) 0.2331 (7) 0.4322 (4) 0.112 (4) 0.539 (8)
C26' 0.9370 (10) 0.1644 (12) 0.3948 (8) 0.160 (5) 0.461 (8)
C24' 1.273 (2) 0.2224 (8) 0.4398 (5) 0.104 (4) 0.461 (8)
C25' 1.3145 (18) 0.0592 (6) 0.3717 (6) 0.111 (4) 0.461 (8)
H1A −0.24570 1.48400 −0.44690 0.1440*
H1B −0.03250 1.37960 −0.42020 0.1440*
H1C −0.09720 1.47480 −0.37020 0.1440*
H2A −0.47220 1.32330 −0.44060 0.1220*
H3B −0.44820 1.47120 −0.28870 0.1450*
H3C −0.59200 1.37060 −0.28640 0.1450*
H6A 0.10010 1.19690 −0.33730 0.0680*
H9A −0.15400 1.14010 −0.06990 0.0760*
H2B −0.47120 1.21410 −0.35930 0.1220*
H2C −0.25800 1.21990 −0.41260 0.1220*
H3A −0.58200 1.47730 −0.36820 0.1450*
H19A 0.85790 0.36850 0.28280 0.0650*
H21A 1.50760 0.23040 0.27150 0.0680*
H22A 1.53530 0.38140 0.14850 0.0650*
H24A 1.44840 0.04530 0.39010 0.2450* 0.539 (8)
H24B 1.38780 0.08690 0.46900 0.2450* 0.539 (8)
H24C 1.50390 0.17000 0.39630 0.2450* 0.539 (8)
H25A 0.99670 0.11480 0.29600 0.1460* 0.539 (8)
H25B 0.93010 0.07220 0.38830 0.1460* 0.539 (8)
H25C 1.15680 0.00880 0.36080 0.1460* 0.539 (8)
H26A 0.87580 0.23900 0.41970 0.1680* 0.539 (8)
H26B 1.05960 0.31370 0.42880 0.1680* 0.539 (8)
H26C 1.06940 0.17870 0.48700 0.1680* 0.539 (8)
H10A −0.36330 1.27920 −0.18190 0.0710*
H13A 0.85680 0.90420 −0.17470 0.0680*
H14A 1.10850 0.73370 −0.08010 0.0660*
H24D 1.33780 0.29410 0.41540 0.1560* 0.461 (8)
H24E 1.38710 0.15600 0.47090 0.1560* 0.461 (8)
H24F 1.15780 0.24140 0.47580 0.1560* 0.461 (8)
H25D 1.24530 0.02460 0.33590 0.1670* 0.461 (8)
H25E 1.32770 0.00360 0.42680 0.1670* 0.461 (8)
H25F 1.46060 0.07150 0.35280 0.1670* 0.461 (8)
H26D 0.86350 0.14870 0.35050 0.2400* 0.461 (8)
H26E 0.85490 0.23750 0.40530 0.2400* 0.461 (8)
H26F 0.94360 0.09520 0.44350 0.2400* 0.461 (8)