Cargando…
A structure determination protocol based on combined analysis of 3D-ED data, powder XRD data, solid-state NMR data and DFT-D calculations reveals the structure of a new polymorph of l-tyrosine
We report the crystal structure of a new polymorph of l-tyrosine (denoted the β polymorph), prepared by crystallization from the gas phase following vacuum sublimation. Structure determination was carried out by combined analysis of three-dimensional electron diffraction (3D-ED) data and powder X-ra...
Autores principales: | Smalley, Christopher J. H., Hoskyns, Harriet E., Hughes, Colan E., Johnstone, Duncan N., Willhammar, Tom, Young, Mark T., Pickard, Christopher J., Logsdail, Andrew J., Midgley, Paul A., Harris, Kenneth D. M. |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2022
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9093151/ https://www.ncbi.nlm.nih.gov/pubmed/35655549 http://dx.doi.org/10.1039/d1sc06467c |
Ejemplares similares
-
Solid-State Structural Properties of Alloxazine Determined
from Powder XRD Data in Conjunction with DFT-D Calculations
and Solid-State NMR Spectroscopy: Unraveling the Tautomeric Identity
and Pathways for Tautomeric Interconversion
por: Smalley, Christopher J. H., et al.
Publicado: (2021) -
Strontium Retention of Calcium Zirconium Aluminate Cement Paste Studied by NMR, XRD and SEM-EDS
por: Madej, Dominika
Publicado: (2020) -
Competing HB acceptors: an extensive NMR investigations corroborated by single crystal XRD and DFT calculations
por: Tiwari, Surbhi, et al.
Publicado: (2021) -
Structural Studies of Aluminated form of Zeolites—EXAFS and XRD Experiment, STEM Micrography, and DFT Modelling
por: Jajko, Gabriela, et al.
Publicado: (2021) -
Determination of a complex crystal structure in the absence of single crystals: analysis of powder X-ray diffraction data, guided by solid-state NMR and periodic DFT calculations, reveals a new 2′-deoxyguanosine structural motif
por: Hughes, Colan E., et al.
Publicado: (2017)