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77955432270
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note
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-1): 3573 (w), 3356 (w), 3191 (w), 2962 (s), 2925 (m), 2874 (w), 2848 (w), 2361 (s), 1612 (w), 1583 (m), 1538 (s), 1476 (m), 1430 (w), 1391 (vs), 1254 (s), 1121 (m), 1083 (w), 1017 (s), 911 (m), 844 (s), 777 (vs), 674 (m), 610 (w), 581 (w), 539 (m), and 422 (vs).
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26
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77955420188
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note
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2 = 0.1064 for data/restraints/parameters: 13088/10/694; reflections collected/unique: 43708/13088, [R(int) = 0.0448] with I > 2σ(I) in 1. All non-hydrogen atoms were refined anisotropically and all hydrogen atoms were refined isotropically. The hydrogen atoms on O13, O14, O15, O16 and C59 were refined with constraints for the idealized positions in order to get a reasonable value of the mean shift/esd ratio.
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