ArticleChemical science2020
Accurate crystal structures and chemical properties from NoSpherA2.
Article in Chemical science, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 134 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
134 citing papers in PubMed.
- Application of electrostatic and multi-layer embedding in Hirshfeld atom refinements: a cost-effective approach for approximating bulk effects in crystalline environments.Journal of applied crystallography · 2026Article
- Are crystal structures getting better? A temporal and elemental analysis of the Cambridge Structural Database.Acta crystallographica. Section C, Structural chemistry · 2026Article
- Crystal structures of products from the BBrActa crystallographica. Section E, Crystallographic communications · 2026Article
- Ambiphilic Ligand Stabilization of Aluminum(I) Fragments: Halides, Cations, and a Hydride.Angewandte Chemie (International ed. in English) · 2026Article
- Towards routine accurate electron-density studies of biological macromolecules.Acta crystallographica. Section D, Structural biology · 2026Article
- Article
- Crystal structures of 2-meth-oxy-5-nitro-anilineActa crystallographica. Section E, Crystallographic communications · 2026Article
- Metformindiium dibromide.IUCrData · 2026Article
- 3-Methyl-2-nitro-aniline.IUCrData · 2026Article
- Controlling Chemical Reactivity Under the Electron Microscope: Single-Crystal-to-Single-Crystal Splitting of Thymine Dimers Initiated by Electron Beam Ionization and Amplified by Electron Transfer-Mediated Chain Reactions.Angewandte Chemie (International ed. in English) · 2026Article
- Hydride and Seek: Comparing Crystallographic Hydride Placement Techniques with an Open-Shell Cobalt Complex.ACS central science · 2026Article
- Crystal structure of theActa crystallographica. Section E, Crystallographic communications · 2026Article
- The Versatile Structural World of Methanedi- and Trisulfonic Acid and Their Salts.ChemistryOpen · 2026Article
- Alkali metal cation effects for rapid C-H activation by iron(0) complexes.Chemical science · 2026Article
- Radiation damage in sub-Ångström resolution macromolecular crystallography: a low-dose study.Acta crystallographica. Section D, Structural biology · 2026Article
- 4-[4-(4-Chloro-1,2,5-thia-diazol-3-yl)phen-yl]morpholine.IUCrData · 2026Article
- Crystal structure and Hirshfeld surface analysis ofActa crystallographica. Section E, Crystallographic communications · 2026Article
- Nucleophilic substitution of a phthalimidyl group with morpholine in an NActa crystallographica. Section C, Structural chemistry · 2026Article
- Crystal structures of the homologues diethyl and dimethyl (10Acta crystallographica. Section E, Crystallographic communications · 2026Article
- New Multicomponent Crystals of Antidiabetic Drug, Metformin: Mechanochemistry, Structural Studies, Biological Activity and Topological Analysis.International journal of molecular sciences · 2026Article
74 more citing papers are in PubMed but not listed here.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
16 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The relationship between the structure and the properties of a drug or material is a key concept of chemistry. Knowledge of the three-dimensional structure is considered to be of such importance that almost every report of a new chemical compound is accompanied by an X-ray crystal structure - at least since the 1970s when diffraction equipment became widely available. Crystallographic software of that time was restricted to very limited computing power, and therefore drastic simplifications had to be made. It is these simplifications that make the determination of the correct structure, especially when it comes to hydrogen atoms, virtually impossible. We have devised a robust and fast system where modern chemical structure models replace the old assumptions, leading to correct structures from the model refinement against standard in-house diffraction data using no more than widely available software and desktop computing power. We call this system
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.