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ytuyrxu铁虫 (小有名气)
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[求助]
请问投过Acta C的，surporting information 要跟在文章的后面吗？
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如何将用cif导出的数据输入到word里？Crystal data C30H52O4 F(000) = 1056 Mr = 476.72 Dx = 1.152 Mg m-3 Monoclinic, C2 Mo Ka radiation, l = 0.71073 Å a = 23.908 (5) Å Cell parameters from 2903 reflections b = 7.4853 (15) Å q = 3.1-25.5° c = 15.363 (3) Å m = 0.07 mm-1 b = 91.89 (3)° T = 153 K V = 2747.8 (10) Å3 Block, colourless Z = 4 0.18 × 0.15 × 0.10 mm Data collection Bruker D8 Venture diffractometer 4832 independent reflections Radiation source: fine-focus sealed tube 4542 reflections with I > 2(I) Graphite monochromator Rint = 0.031 scans max = 25.5°, min = 3.1° Absorption correction: multi-scan (SADABS; Sheldrick, 2003) h = -2728 Tmin = 0.987, Tmax = 0.993 k = -89 10787 measured reflections l = -1818 Refinement Refinement on F2 Secondary atom site location: difference Fourier map Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites R[F2 > 2(F2)] = 0.042 H-atom parameters constrained wR(F2) = 0.098 w = 1/[2(Fo2) + (0.0623P)2 + 0.2267P] where P = (Fo2 + 2Fc2)/3 S = 1.09 (/  max = 0.0014832 reflections max = 0.19 e Å-3 318 parameters min = -0.24 e Å-3 1 restraint Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881 Primary atom site location: structure-invariant direct methods Absolute structure parameter: -0.6 (8) [ Last edited by linhua0402313 on 2016-2-15 at 09:30 ] |
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