Crystal structure of merimepodib, C[subsript 23]H[subsript 24]N[subsript 4]O[subsript 6]

Kaduk, James A.; Gates-Rector, Stacy; Gindhart, Amy M.; Blanton, Thomas N.

doi:10.1017/S0885715622000148

Title: Crystal structure of merimepodib, C[subsript 23]H[subsript 24]N[subsript 4]O[subsript 6]

Journal Article · 01 September 2022 · Powder Diffr.

DOI:https://doi.org/10.1017/S0885715622000148· OSTI ID:1901047

Kaduk, James A.; Gates-Rector, Stacy; Gindhart, Amy M.; Blanton, Thomas N.

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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:: 1901047

Journal Information:: Powder Diffr., Vol. 37, Issue (3)

Country of Publication:: United States

Language:: ENGLISH

References (25)

Some further considerations in powder diffraction pattern indexing with the dichotomy method Louër, Daniel; Boultif, Ali Powder Diffraction, Vol. 29, Issue S2 https://doi.org/10.1017/S0885715614000906	journal	November 2014
Patterns in Hydrogen Bonding: Functionality and Graph Set Analysis in Crystals Bernstein, Joel; Davis, Raymond E.; Shimoni, Liat Angewandte Chemie International Edition in English, Vol. 34, Issue 15 https://doi.org/10.1002/anie.199515551	journal	August 1995
A twelve-analyzer detector system for high-resolution powder diffraction Lee, Peter L.; Shu, Deming; Ramanathan, Mohan Journal of Synchrotron Radiation, Vol. 15, Issue 5 https://doi.org/10.1107/S0909049508018438	journal	July 2008
PubChem 2019 update: improved access to chemical data Kim, Sunghwan; Chen, Jie; Cheng, Tiejun Nucleic Acids Research, Vol. 47, Issue D1 https://doi.org/10.1093/nar/gky1033	journal	October 2018
Mercury 4.0 : from visualization to analysis, design and prediction Macrae, Clare F.; Sovago, Ioana; Cottrell, Simon J. Journal of Applied Crystallography, Vol. 53, Issue 1 https://doi.org/10.1107/S1600576719014092	journal	February 2020
State-Of-The-Art High-Resolution Powder X-Ray Diffraction (Hrpxrd) Illustrated with Rietveld Structure Refinement of Quartz, Sodalite, Tremolite, and Meionite Antao, S. M.; Hassan, I.; Wang, J. The Canadian Mineralogist, Vol. 46, Issue 6 https://doi.org/10.3749/canmin.46.5.1501	journal	December 2008
GSAS-II : the genesis of a modern open-source all purpose crystallography software package Toby, Brian H.; Von Dreele, Robert B. Journal of Applied Crystallography, Vol. 46, Issue 2 https://doi.org/10.1107/S0021889813003531	journal	March 2013
Retrieval of Crystallographically-Derived Molecular Geometry Information Bruno, Ian J.; Cole, Jason C.; Kessler, Magnus Journal of Chemical Information and Computer Sciences, Vol. 44, Issue 6 https://doi.org/10.1021/ci049780b	journal	November 2004
Open Babel: An open chemical toolbox O'Boyle, Noel M.; Banck, Michael; James, Craig A. Journal of Cheminformatics, Vol. 3, Issue 1 https://doi.org/10.1186/1758-2946-3-33	journal	October 2011
EXPO2013 : a kit of tools for phasing crystal structures from powder data Altomare, Angela; Cuocci, Corrado; Giacovazzo, Carmelo Journal of Applied Crystallography, Vol. 46, Issue 4 https://doi.org/10.1107/S0021889813013113	journal	July 2013
Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D) van de Streek, Jacco; Neumann, Marcus A. Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, Vol. 70, Issue 6, p. 1020-1032 https://doi.org/10.1107/S2052520614022902	journal	December 2014
The assignment and validation of metal oxidation states in the Cambridge Structural Database Shields, Gregory P.; Raithby, Paul R.; Allen, Frank H. Acta Crystallographica Section B Structural Science, Vol. 56, Issue 3 https://doi.org/10.1107/S0108768199015086	journal	June 2000
Crystal field effects on the topological properties of the electron density in molecular crystals: The case of urea Gatti, C.; Saunders, V. R.; Roetti, C. The Journal of Chemical Physics, Vol. 101, Issue 12 https://doi.org/10.1063/1.467882	journal	December 1994
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
FOX , `free objects for crystallography': a modular approach to ab initio structure determination from powder diffraction Favre-Nicolin, Vincent; Černý, Radovan Journal of Applied Crystallography, Vol. 35, Issue 6 https://doi.org/10.1107/S0021889802015236	journal	November 2002
Development and Manufacture of the Inosine Monophosphate Dehydrogenase Inhibitor Merimepodib, VX-497 Looker, Adam R.; Littler, Benjamin J.; Blythe, Todd A. Organic Process Research & Development, Vol. 12, Issue 4 https://doi.org/10.1021/op800060h	journal	July 2008
The Powder Diffraction File: a quality materials characterization database Gates-Rector, Stacy; Blanton, Thomas Powder Diffraction, Vol. 34, Issue 4 https://doi.org/10.1017/S0885715619000812	journal	November 2019
VX-497: A novel, selective IMPDH inhibitor and immunosuppressive agent Jain, Jugnu; Almquist, Susan J.; Shlyakhter, Dina Journal of Pharmaceutical Sciences, Vol. 90, Issue 5 https://doi.org/10.1002/1520-6017(200105)90:5<625::AID-JPS1019>3.0.CO;2-1	journal	May 2001
Bonded-atom fragments for describing molecular charge densities Hirshfeld, F. L. Theoretica Chimica Acta, Vol. 44, Issue 2 https://doi.org/10.1007/BF00549096	journal	January 1977
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Crystal structure of atomoxetine hydrochloride (Strattera), C ₁₇ H ₂₂ NOCl Kaduk, James A.; Crowder, Cyrus E.; Zhong, Kai Powder Diffraction, Vol. 29, Issue 3 https://doi.org/10.1017/S0885715614000517	journal	June 2014
A dedicated powder diffraction beamline at the Advanced Photon Source: Commissioning and early operational results Wang, Jun; Toby, Brian H.; Lee, Peter L. Review of Scientific Instruments, Vol. 79, Issue 8 https://doi.org/10.1063/1.2969260	journal	August 2008
Encoding and decoding hydrogen-bond patterns of organic compounds Etter, Margaret C. Accounts of Chemical Research, Vol. 23, Issue 4 https://doi.org/10.1021/ar00172a005	journal	April 1990
Crystal structures of ammonium citrates Wheatley, Austin M.; Kaduk, James A. Powder Diffraction, Vol. 34, Issue 1 https://doi.org/10.1017/S0885715618000829	journal	December 2018
New software for statistical analysis of Cambridge Structural Database data Sykes, Richard A.; McCabe, Patrick; Allen, Frank H. Journal of Applied Crystallography, Vol. 44, Issue 4 https://doi.org/10.1107/S0021889811014622	journal	June 2011

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