The Weighting of Intensities (open access)

The Weighting of Intensities

Technical report. From report : "The method of least squares refinement is based on the prediction of the theory of errors that, if the errors of the observed structure factors follow the Gaussian distribution, the most nearly correct atomic parameters will be those which result in the minimization of the residual R = Σi [√wi(|Fo| - |Fc|)i]2."
Date: December 13, 1962
Creator: Hershaft, Alex & Corbett, John D.
System: The UNT Digital Library
The Crystal Structure of Bis(Meta-Chlorobenzoyl) Methane (open access)

The Crystal Structure of Bis(Meta-Chlorobenzoyl) Methane

Technical report. From Abstract : "The crystal structure of bis(meta-chlorobenzoyl) methane has been determined by three dimensional anisotropic least squares refinement of scintillation counter data. The molecule was found to be nearly planar with a maximum deviation from the least squares molecular plane of 0.068Å and an average deviation of 0.023Å. Fourier transform techniques to locate phenyl rings provided the key to the structure determination. The intramolecular bond distances and thermal parameters of the oxygen atoms support a resonant, enol ring with a symmetric, intramolecular hydrogen bond. The structure confirms conslusions from the structure of bis(meta-bromobenzoyl) methane where the symmetry of the molecule was forced by the crystal symmetry."
Date: December 13, 1962
Creator: Engebretson, Gordon R. & Rundle, R. E.
System: The UNT Digital Library