3,5-Dimethoxyphenyl 4-methylbenzenesulfonate

Olszowy, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz

doi:10.1107/s2414314617009804

IUCr Data

2017

DOI: 10.1107/s2414314617009804

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3,5-Dimethoxyphenyl 4-methylbenzenesulfonate

Aleksandra Olszowy

Dawid Siodłak

Bartosz Zarychta

Abstract: Molecules of the title compound, C15H16O5S, are composed of a 3,5-dimethoxyphenyl moiety substituted with a toluene-4-sulfonate group. The dihedral angle between two aromatic rings is 57.23 (4)°. In the crystal, molecules are connected by weak C—H...O hydrogen bonds and S...O van der Waals interactions.

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Metrics for crystallographic diffraction- and fit-data: a review of existing ones and the need for new ones

Henn

2019

Crystallography Reviews

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Normal probability plots and corresponding histograms of the residuals for 1 and 2. Additional simulation of the histogram of data generated from two Gaussians with different variances -Fig.2: fraction of data with Miller triples being a multiple of 3 and fraction of rare events ||>3 from these fractions for 1 and 2 -Fig.3: BayCon plots (X), X = (I c , , sintl, I o / (Io)) and corresponding  2 values for 1 and 2 -Fig:4: BayCon plots (  X), X = (I c , , sintl, I o / (Io)) and corresponding  2 values for 1 and 2 -Fig5: Squared residuals in individual bins of the data sorted by significance I o / (Io); observed intensity, I o ; and resolution (sin / respectively for 1 and 2 -Fig.6: Correlation coefficients cc(  ,  cc(  ,  cc(  ,  for the data sorted in increasing order of the significance of the observed intensities for 1 and 2 -Fig 7: Diagnostic plots for the neutron diffraction data set oxa14 from Kaminski et a Description of a simulation for testing the standard deviations sqrt(1/Nref) of the correlation coefficients with the help of random numbers.

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Metrics for crystallographic diffraction- and fit-data: a review of existing ones and the need for new ones

Henn

2019

Crystallography Reviews

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show abstract

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3,5-Dimethoxyphenyl 4-methylbenzenesulfonate

Cited by 1 publication

References 4 publications

Metrics for crystallographic diffraction- and fit-data: a review of existing ones and the need for new ones

Metrics for crystallographic diffraction- and fit-data: a review of existing ones and the need for new ones

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