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Related Concept Videos

X-ray Crystallography02:18

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The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
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X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are  scattered by the electron clouds around the sample atoms. The  X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal...
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Updated: Nov 19, 2025

Microcrystallography of Protein Crystals and In Cellulo Diffraction
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Distortions, deviations and alternative facts: reliability in crystallography.

William Clegg1

  • 1School of Natural and Environmental Sciences, Newcastle University, Newcastle upon Tyne NE1 7RU, United Kingdom.

Iucrj
|February 1, 2021
PubMed
Summary

Kathleen Lonsdale

Area of Science:

  • Crystallography
  • Organic Chemistry
  • Structural Chemistry

Background:

  • Kathleen Lonsdale's 1929 work established the planar, hexagonal symmetry of the benzene ring in hexa-methyl-benzene.
  • Recent studies reveal minor deviations from planarity in hexa-methyl-benzene, attributed to electronic, steric, or intermolecular factors.
  • Some substituted benzene molecules exhibit significant deviations from planarity and hexagonal geometry.

Purpose of the Study:

  • To explore structural distortions and deviations from expected results in chemistry, inspired by Lonsdale's research.
  • To examine a range of chemical topics, including macrocycles, metal clusters, coordination geometry, and isomerism.
  • To serve an educational purpose by discussing scientific findings, including errors and biases.

Main Methods:

Keywords:
scientific fraudstructural distortionsstructure interpretationstructure validation

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  • Review of crystallographic studies on hexa-methyl-benzene and related compounds.
  • Discussion of various chemical structures and their deviations from ideal geometries.
  • Analysis of case studies involving experimental errors, misinterpretations, and scientific misconduct.

Main Results:

  • Confirmation of Lonsdale's foundational work while highlighting newer findings on benzene ring deviations.
  • Identification of diverse structural anomalies across various chemical systems.
  • Examples of scientific challenges, including poor experimentation, data misinterpretation, bias, and fraud.

Conclusions:

  • Structural deviations in chemical compounds are common and influenced by multiple factors.
  • Critical evaluation and structure validation are essential in scientific research.
  • The study provides insights into scientific integrity and the evolution of chemical understanding.