Crystal structure of palbociclib isethionate Form B, (C[subscript 24]H[subscript 30]N[subscript 7]O[

Kaduk, James A.; Gindhart, Amy M.; Blanton, Thomas N.

doi:10.1017/S0885715621000361

Crystal structure of palbociclib isethionate Form B, (C[subscript 24]H[subscript 30]N[subscript 7]O[

Journal Article · 01 September 2021 · Powder Diffr.

DOI:https://doi.org/10.1017/S0885715621000361· OSTI ID:1824680

Kaduk, James A.; Gindhart, Amy M.; Blanton, Thomas N.

Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: DOE - Office Of Science; INDUSTRY

OSTI ID:: 1824680

Journal Information:: Powder Diffr., Vol. 36, Issue (3)

Country of Publication:: United States

Language:: ENGLISH

References (23)

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 structures of alkali metal (Group 1) citrate salts Rammohan, Alagappa; Kaduk, James A. Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, Vol. 74, Issue 2 https://doi.org/10.1107/S2052520618002330	journal	March 2018
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
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
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
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
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
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 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
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
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
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
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
C RYSTAL14 : A program for the ab initio investigation of crystalline solids Dovesi, Roberto; Orlando, Roberto; Erba, Alessandro International Journal of Quantum Chemistry, Vol. 114, Issue 19 https://doi.org/10.1002/qua.24658	journal	March 2014
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
Consistent Gaussian basis sets of triple-zeta valence with polarization quality for solid-state calculations Peintinger, Michael F.; Oliveira, Daniel Vilela; Bredow, Thomas Journal of Computational Chemistry, Vol. 34, Issue 6 https://doi.org/10.1002/jcc.23153	journal	October 2012
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
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
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
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
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
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

Similar Records

Crystal structure of palbociclib isethionate Form B, (C[subscript 24]H[subscript 30]N[subscript 7]O[

Journal Article · 2021 · Powder Diffr. · OSTI ID:1828963

Kaduk, James A.; Gindhart, Amy M.; Blanton, Thomas N.

Crystal structure of minocycline hydrochloride dihydrate form A, C[subscript 23]H[subscript 28]N[subscript 3]O[subscript 7]Cl (H[subscript 2]O)[subscript 2]

Journal Article · 2020 · Powder Diffr. · OSTI ID:1569079

Wheatley, Austin M.; Kaduk, James A.; Gindhart, Amy M.; +1 more

Crystal structure of loteprednol etabonate Form II, C[subscript 24]H[subscript 31]ClO[subscript 7]

Journal Article · 2021 · Powder Diffr. · OSTI ID:1775478

Kaduk, James A.; Gindhart, Amy M.; Blanton, Thomas N.

Crystal structure of palbociclib isethionate Form B, (C[subscript 24]H[subscript 30]N[subscript 7]O[

Citation Formats

References (23)

Similar Records

Related Subjects