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Title: Crystal structure of baricitinib, C[subscript 16]H[subscript 17]N[subscript 7]O[subscript 2]S

Journal Article · · Powder Diffr.

Research Organization:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Organization:
DOE - Office Of Science; DOE - BASIC ENERGY SCIENCES
OSTI ID:
1901048
Journal Information:
Powder Diffr., Vol. 37, Issue (3)
Country of Publication:
United States
Language:
ENGLISH

References (30)

State-Of-The-Art High-Resolution Powder X-Ray Diffraction (Hrpxrd) Illustrated with Rietveld Structure Refinement of Quartz, Sodalite, Tremolite, and Meionite journal December 2008
Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94 journal April 1996
Patterns in Hydrogen Bonding: Functionality and Graph Set Analysis in Crystals journal August 1995
Baricitinib: First Global Approval journal March 2017
A dedicated powder diffraction beamline at the Advanced Photon Source: Commissioning and early operational results journal August 2008
Bonded-atom fragments for describing molecular charge densities journal January 1977
Phenomenological model of anisotropic peak broadening in powder diffraction journal April 1999
Crystal field effects on the topological properties of the electron density in molecular crystals: The case of urea journal December 1994
Relationship between the Structure and Properties of Pharmaceutical Crystals journal January 2005
Consistent Gaussian basis sets of triple-zeta valence with polarization quality for solid-state calculations journal October 2012
Phase transformation considerations during process development and manufacture of solid oral dosage forms journal February 2004
Mechanism of baricitinib supports artificial intelligence‐predicted testing in COVID ‐19 patients journal June 2020
Baricitinib in patients with inadequate response or intolerance to conventional synthetic DMARDs: results from the RA-BUILD study journal September 2016
A twelve-analyzer detector system for high-resolution powder diffraction journal July 2008
Direct correlation among crystal structure, mechanical behaviour and tabletability in a trimorphic molecular compound journal January 2012
Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D) journal December 2014
Mercury 4.0 : from visualization to analysis, design and prediction journal February 2020
Correction of intensities for preferred orientation in powder diffractometry: application of the March model journal August 1986
Crystal structure of atomoxetine hydrochloride (Strattera), C 17 H 22 NOCl journal June 2014
New software for statistical analysis of Cambridge Structural Database data journal June 2011
DASH : a program for crystal structure determination from powder diffraction data journal November 2006
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
The assignment and validation of metal oxidation states in the Cambridge Structural Database journal June 2000
Encoding and decoding hydrogen-bond patterns of organic compounds journal April 1990
Mathematische Theorie der Regelung nach der Korngestah bei affiner Deformation journal January 1932
Structure validation in chemical crystallography journal January 2009
TOPAS and TOPAS-Academic : an optimization program integrating computer algebra and crystallographic objects written in C++ journal February 2018
The Cambridge Structural Database
  • Groom, Colin R.; Bruno, Ian J.; Lightfoot, Matthew P.
  • Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, Vol. 72, Issue 2, p. 171-179 https://doi.org/10.1107/S2052520616003954
journal April 2016
Retrieval of Crystallographically-Derived Molecular Geometry Information journal November 2004
The Powder Diffraction File: a quality materials characterization database journal November 2019