Powder Diffraction Journal

Volume 38 – 2023

 

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PDJ Vol 38 No 1 Cover Art

Abstracts, Editorials, and International Reports from Powder Diffraction are now available online free of charge. To view the abstracts with option to purchase articles or login if you have a subscription, please visit Cambridge Journals Online.

Cambridge University Press
1 Liberty Plaza, Floor 20
New York NY 10006, USA
Phone: (212) 337-5000
Toll Free: 1 800-872-7423

Powder Diffraction – Vol. 38 Number 1 – March 2023


NEW DIFFRACTION DATA

James A. Kaduk, Stacy Gates-Rector and Thomas N. Blanton
Crystal structure of vismodegib, C19H14Cl2N20O3S (p. 1)
▸ DOI: 10.1017/S0885715622000446

James A. Kaduk, Stacy Gates-Rector and Thomas N. Blanton
Crystal structure of halofuginone hydrobromide, C16H18BrClN3O3Br (p. 7)
▸ DOI: 10.1017/S088571562200046X

James A. Kaduk, Stacy Gates-Rector and Thomas N. Blanton
Crystal structure of oxibendazole, C12H15N3O3 (p. 15)
▸ DOI: 10.1017/S0885715622000495

James A. Kaduk, Stacy Gates-Rector and Thomas N. Blanton
Crystal structure of toceranib, C22H25FN4O2 (p. 21)
▸ DOI: 10.1017/S0885715622000513

G. Murugesan, Nandhan K. R., N. Maruthi, A. Muthuraja, Saraswathi Bhaskar and M. Manigandan
Structural analysis of Ba0.8Sr0.2Ti0.6Zr0.3Mn0.1O3 ceramics (p. 27)
▸ DOI: 10.1017/S0885715622000598

James A. Kaduk, Stacy Gates-Rector and Thomas N. Blanton
Crystal structure of butena.ne hydrochloride, C23H28NCl (p. 30)
▸ DOI: 10.1017/S0885715622000562

James A. Kaduk, Stacy Gates-Rector and Thomas N. Blanton
Crystal structure of oxfendazole, C15H13N3O3S (p. 37)
▸ DOI: 10.1017/S0885715622000574

James A. Kaduk, Stacy Gates-Rector and Thomas N. Blanton
Crystal structure of besi.oxacin hydrochloride, C19H22ClFN3O3Cl (p. 43)
▸ DOI: 10.1017/S0885715622000586

James A. Kaduk, Stacy Gates-Rector and Thomas N. Blanton
Crystal structure of elvitegravir Form II, C23H23ClFNO5 (p. 53)
▸ DOI: 10.1017/S0885715622000501

James A. Kaduk, Amy M. Gindhart, Stacy Gates-Rector and Thomas N. Blanton
Crystal structure of deracoxib, C17H14F3N3O3S (p. 64)
▸ DOI: 10.1017/S0885715622000525

Chunguang Dai, Yuanjiang Pan and Xiurong Hu
Crystal structure and X-ray powder diffraction data for ruxolitinib (p. 69)
▸ DOI: 10.1017/S0885715622000604

INTERNATIONAL REPORT

Ana Ferreras and Mitchell D. Miller
Exploring structural database use in crystallography: a workshop series of the U.S. National Committee for Crystallography (p. 74)
▸ DOI: 10.1017/S0885715623000064

CALENDARS OF MEETINGS, SHORT COURSES AND WORKSHOPS

Gang Wang
Calendar of Forthcoming Meetings (p. 79)
▸ DOI: 10.1017/S0885715623000027

Gang Wang
Calendar of Short Courses and Workshops (p. 80)
▸ DOI: 10.1017/S0885715623000039

PDJ Vol 38 No 2 Cover

Abstracts, Editorials, and International Reports from Powder Diffraction are now available online free of charge. To view the abstracts with option to purchase articles or login if you have a subscription, please visit Cambridge Journals Online.

Cambridge University Press
1 Liberty Plaza, Floor 20
New York NY 10006, USA
Phone: (212) 337-5000
Toll Free: 1 800-872-7423

Powder Diffraction – Vol. 38 Number 2 – June 2023


TECHNICAL ARTICLE

Takashi Ida
Powder X-ray diffraction intensities of corundum calculated by conventional and density functional theory methods and extracted by deconvolutional treatment on experimental data (pp. 81-89)
▸ DOI: 10.1017/S0885715623000131

PROCEEDINGS PAPERS

Mark A. Rodriguez, John Krukar, Nichole R. Valdez, James Z. Harris, Kathryn A. Perkins, Christopher DiAntonio and Pin Yang
Evaluating the pressure dependence of PZT structures using a virtual reality environment (pp. 90-99)
▸ DOI: 10.1017/S0885715623000143

Pamela S. Whitfield
Low-temperature crystal structures of the solvent dimethyl carbonate (pp. 100-111)
▸ DOI: 10.1017/S088571562300009X

M. Witte
Measurement of coating thickness with X-ray diffraction (pp. 112-118)
▸ DOI: 10.1017/S088571562300012X

Jessica E. Lyza, Timothy G. Fawcett, Sarah N. Page and Kelly L. Cook
Challenges of quantitative phase analysis of iron and steel slags: a look at sample complexity (pp. 119-138)
▸ DOI: 10.1017/S0885715623000179

INSTRUMENTATION, ANALYSIS AND LABORATORY DEVELOPMENTS

Wolfgang Wisniewski, Cécile Genevois, Emmanuel Veron and Mathieu Allix
Experimental evidence concerning the significant information depth of X-ray
diffraction (XRD) in the Bragg-Brentano configuration (pp. 139-144)
▸ DOI: 10.1017/S0885715623000052

NEW DIFFRACTION DATA

James A. Kaduk, Anja Vieira Dosen and Thomas N. Blanton
Crystal structure of encorafenib, C22H27ClFN7O4S (pp. 145-151)
▸ DOI: 10.1017/S0885715623000118

Jose L. Pinto, Hernando Camargo and Nelson J. Castellanos
Synthesis and X-ray diffraction data of dichloro-dioxido-(4,4′-dimethyl-2,2′-bipyridyl) molybdenum (VI) (pp. 152-157)
▸ DOI: 10.1017/S0885715623000040

DATA REPORTS

Massimo Zampieri, Guseppe Barreca and Norberto Masciocchi
X-ray powder diffraction data for ESP15228, C19H34O5, a bempedoic acid metabolite (pp. 158-160)
▸ DOI: 10.1017/S0885715623000106

Weijing Zeng and Huashan Liu
Powder diffraction data of the Al0.931Ni1.069Sc5 compound (pp. 161-163)
▸ DOI: 10.1017/S0885715623000015

CALENDARS OF MEETINGS, SHORT COURSES AND WORKSHOPS

Gang Wang
Calendar of Forthcoming Meetings (p. 164)
▸ DOI: 10.1017/S0885715623000209

Gang Wang
Calendar of Short Courses and Workshops (p. 165)
▸ DOI: 10.1017/S0885715623000210

PDJ Cover V38 N3

Abstracts, Editorials, and International Reports from Powder Diffraction are now available online free of charge. To view the abstracts with option to purchase articles or login if you have a subscription, please visit Cambridge Journals Online.

Cambridge University Press
1 Liberty Plaza, Floor 20
New York NY 10006, USA
Phone: (212) 337-5000
Toll Free: 1 800-872-7423

Powder Diffraction – Vol. 38 Number 3 – September 2023


EDITORIAL

Camden Richards Hubbard
Powder Diffraction journal editors Miguel Delgado and Xiaolong Chen awarded the 2023 ICDD Distinguished Fellow award (p.167)
▸ DOI: 10.1017/S0885715623000325

TECHNICAL ARTICLES

Fabio F. Ferreira, Aline P. C. Pereira, Ianny B. Reis, Bianca R. S. Sasaki, Wagner J. Fávaro and Nelson Durán
Quantitative phase analysis of commercial ammonium phosphates by PXRD for application in biological systems (pp. 168-179)
▸ DOI: 10.1017/S0885715623000167

Gwilherm Nénert
A new polymorphic form of Na2SeO3·5H2O: structure determination from X-ray laboratory powder diffraction (pp. 180-184)
▸ DOI: 10.1017/S0885715623000301

NEW DIFFRACTION DATA

Tawnee M. Ens, James A. Kaduk, Anya Vieira Dosen and Thomas N. Blanton
Crystal structure of meglumine diatrizoate, (C7H18NO5)(C11H8I3N2O4) (pp. 185-193)
▸ DOI: 10.1017/S0885715623000180

Tawnee M. Ens, James A. Kaduk, Anja Dosen and Thomas N. Blanton
Crystal structure of danofloxacin mesylate (C19H21FN3O3)(CH3O3S) (pp. 194- 200)
▸ DOI: 10.1017/S0885715623000271

Anastasia Gorodnova, Vladimir N. Ivanov, Alexander V. Kurkin and Artem Dmitrienko
Crystal structure of 5-(3-methoxyphenyl)indoline-2,3-dione (pp. 201-206)
▸ DOI: 10.1017/S0885715623000192

James A. Kaduk, Nilan V. Patel and Joseph T. Golab
Crystal structure of calcium L-5-methyltetrahydrofolate trihydrate type I,
C20H23N7O6Ca(H2O)3 (pp. 207-214)
▸ DOI: 10.1017/S0885715623000246

Liuqing Liang, Weijun Li, Meiwen Lu, Sheng Li, Degui Li and Bin Gu
Experimental synthesis and crystal structure refinement of a new ternary intermetallic
compound Al3GaCu9 (pp. 215-219)
▸ DOI: 10.1017/S0885715623000155

Iang Xu, Chongxin Liu, Kang Wu and Hongxiang Chen
Crystal structure and X-ray powder diffraction data of barium copper iodate
Ba2Cu(IO3)6 (pp. 220-223)
▸ DOI: 10.1017/S0885715623000258

Joel W. Reid
Synchrotron powder diffraction data for some smectite clay mineral standards (pp. 224-230)
▸ DOI: 10.1017/S0885715623000283

CALENDARS OF MEETINGS, SHORT COURSES AND WORKSHOPS

Gang Wang
Calendar of Forthcoming Meetings (p. 231)
▸ DOI: 10.1017/S088571562300026X

Gang Wang
Calendar of Short Courses and Workshops (p. 232)
▸ DOI: 10.1017/S0885715623000234

V38 No 4

Abstracts, Editorials, and International Reports from Powder Diffraction are now available online free of charge. To view the abstracts with option to purchase articles or login if you have a subscription, please visit Cambridge Journals Online.

Cambridge University Press
1 Liberty Plaza, Floor 20
New York NY 10006, USA
Phone: (212) 337-5000
Toll Free: 1 800-872-7423

Powder Diffraction – Vol. 38 Number 4 – December 2023


EDITORIAL

Qi Li, Yi Huang, Yanfang Lou, Munan Hao, and Shifeng Jin
Experimental electron density distribution of KZnB3O6 constructed by maximum-entropy method (pp. 233-239)
▸ DOI: 10.1017/S0885715623000428

New Diffraction Data

Paweł Adamski, Aleksander Albrecht, and Dariusz Moszyński
Synthesis and crystal structure of layered molybdate NH4Co2OH(MoO4)2⋅H2O (pp. 240-243)
▸ DOI: 10.1017/S0885715623000350

Lingling Shi, Zhengguo Chen, Hany Kafafy, Zhaoxia Zhang, Guocheng Zhu, Juming Yao, and Guoqing Zhang
Synthesis, powder diffraction pattern, crystal structure determination of the pharmaceutical
co-crystal of levetiracetam and 3,5-dinitrosalicylic acid (pp. 244-252)
▸ DOI: 10.1017/S0885715623000374

Klaudia Nowakowska, and Wiesław Łasocha
X-ray powder diffraction data for three new compounds obtained as a result of CO2 capture (pp. 253-258)
▸ DOI: 10.1017/S0885715623000404

Calendars of Meetings, Short Courses and Workshops

Gang Wang
Calendar of short courses and workshops (p. 259)
▸ DOI: 10.1017/S0885715623000386

Gang Wang
Calendar of forthcoming meetings (p. 260)
▸ DOI: 10.1017/S0885715623000362

International Report

Stephanie Jennings
72nd Annual Denver X-ray Conference Report (pp. 261-267)
▸ DOI: 10.1017/S0885715623000349

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