Results 1 to 10 of about 286,921 (208)

Beyond crystallography: diffractive imaging using coherent x-ray light sources [PDF]

Science, 2015
X-ray crystallography has been central to the development of many fields of science over the past century. It has now matured to a point that as long as good-quality crystals are available, their atomic structure can be routinely determined in three ...
Ishikawa, T, Miao, J, Murnane, MM, Robinson, IK   +3 more
core   +3 more sources

An unexpected oxidation : NaK5Cl2(S2O6)2 revisited [PDF]

, 2017
Acknowledgements We thank the EPSRC National Crystallography Service (University of Southampton) for the X-ray data collection.Peer reviewedPublisher ...
Harrison, W. T. A., Plater, M. J.
core   +10 more sources

Quantum crystallographic charge density of urea [PDF]

, 2016
Standard X-ray crystallography methods use free-atom models to calculate mean unit cell charge densities. Real molecules, however, have shared charge that is not captured accurately using free-atom models.
Wall, Michael E.
core   +14 more sources

The Photovoltaic Performance of Sensitizers for Organic Solar Cells Containing Fluorinated Chalcones with Different Halogen Substituents

Crystals, 2021
Two newly halogenated chalcones, derivatives of C15H10ClFO (CH-ClF) and C15H10F2O (CH-FF), were synthesized using the Claisen–Schmidt condensation method.
Siti Nabilla Aliya Mohd Nizar, Siti Noor Farhana Ab Rahman, Muhamad Fikri Zaini, Ainizatul Husna Anizaim, Ibrahim Abdul Razak, Suhana Arshad   +5 more
doaj   +1 more source

Teaching Undergraduates X‑ray Crystallography with Porphyrins [PDF]

ACS Omega
Asa Toombs, Michelle De La Cruz, Luke Van Hoosen, Zoe Y. Marr, Morgan Redington, Eva Zurek, Joyce Pham   +6 more
doaj   +2 more sources

(E)-1-(Benzo[d][1,3]dioxol-5-yl)-3-([2,2′-bithiophen]-5-yl)prop-2-en-1-one: crystal structure, UV–Vis analysis and theoretical studies of a new π-conjugated chalcone

Acta Crystallographica Section E: Crystallographic Communications, 2019
In the title compound, C18H12O3S2, synthesized by the Claisen–Schmidt condensation method, the essentially planar chalcone unit adopts an s-cis configuration with respect to the carbonyl group within the ethylenic bridge.
Ainizatul Husna Anizaim, Muhamad Fikri Zaini, Muhammad Adlan Laruna, Ibrahim Abdul Razak, Suhana Arshad   +4 more
doaj   +1 more source

Structural, Hirshfeld and DFT studies of conjugated D–π–A carbazole chalcone crystal

Acta Crystallographica Section E: Crystallographic Communications, 2020
A new conjugated carbazole chalcone compound, (E)-3-[4-(9,9a-dihydro-8aH-carbazol-9-yl)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one (CPNC), C27H18N2O3, was synthesized using a Claisen–Schmidt condensation reaction.
Muhamad Fikri Zaini, Ibrahim Abdul Razak, Wan Mohd Khairul, Suhana Arshad   +3 more
doaj   +1 more source

Crystal structure, Hirshfeld surface analysis and DFT studies of (E)-1-(4-bromophenyl)-3-(3-fluorophenyl)prop-2-en-1-one

Acta Crystallographica Section E: Crystallographic Communications, 2019
The asymmetric unit of the title halogenated chalcone derivative, C15H10BrFO, contains two independent molecules, both adopting an s-cis configuration with respect to the C=O and C=C bonds. In the crystal, centrosymmetrically related molecules are linked
Muhamad Fikri Zaini, Ibrahim Abdul Razak, Mohamad Zahid Anis, Suhana Arshad   +3 more
doaj   +1 more source

X-ray Crystallography

, 2013
A poster made for display in a school showing applications of X-ray crystallography.
José A. Brito, Margarida Archer
  +4 more sources

Towards the spatial resolution of metalloprotein charge states by detailed modeling of XFEL crystallographic diffraction. [PDF]

, 2020
Oxidation states of individual metal atoms within a metalloprotein can be assigned by examining X-ray absorption edges, which shift to higher energy for progressively more positive valence numbers.
Holton, James M, Kern, Jan, Sauter, Nicholas K, Yano, Junko   +3 more
core   +2 more sources