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Title: ROY Revisited, Again: The Eighth Solved Structure

Journal Article · · Faraday Discussions
DOI:https://doi.org/10.1039/C8FD00039E· OSTI ID:1436447
 [1];  [1];  [2];  [3];  [4];  [5];  [1];  [6];  [2]
  1. New York Univ. (NYU), NY (United States). Dept. of Chemistry and Molecular Design Inst.
  2. Univ. of Nevada, Las Vegas, NV (United States). High Pressure Science and Engineering Center (HiPSEC), and Dept. of Physics and Astronomy
  3. Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS), X-ray Science Division
  4. Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II), Photon Sciences Division
  5. New York Univ. (NYU), NY (United States). Dept. of Chemistry and Molecular Design Inst.; Harvard Univ., Cambridge, MA (United States). Dept. of Chemistry and Chemical Biology
  6. New York Univ. (NYU), NY (United States). Dept. of Chemistry and Molecular Design Inst.; Waseda Univ., Shinjuku (Japan). Dept. of Advanced Science and Engineering
+ Show Author Affiliations

X-ray powder diffraction and crystal structure prediction algorithms are used in synergy to establish the crystal structure of the eighth polymorph of ROY, form R05.

Research Organization:
Brookhaven National Lab. (BNL), Upton, NY (United States); Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF); National Institutes of Health (NIH); USDOE National Nuclear Security Administration (NNSA)
Grant/Contract Number:
SC0012704; NA0001982; AC02-06CH11357
OSTI ID:
1436447
Alternate ID(s):
OSTI ID: 1461212; OSTI ID: 1487030
Report Number(s):
BNL-203633-2018-JAAM; FDISE6
Journal Information:
Faraday Discussions, Vol. 211; ISSN 1359-6640
Publisher:
Royal Society of ChemistryCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 42 works
Citation information provided by
Web of Science

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  • Reilly, Anthony M.; Cooper, Richard I.; Adjiman, Claire S.
  • Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, Vol. 72, Issue 4 https://doi.org/10.1107/S2052520616007447
journal August 2016
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Cited By (4)

Accuracy and reproducibility in crystal structure prediction: the curious case of ROY journal January 2019
Experimental and computational approaches to rationalise multicomponent supramolecular assemblies: dapsone monosolvates journal January 2019
Overcoming the difficulties of predicting conformational polymorph energetics in molecular crystals via correlated wavefunction methods journal January 2020
ROY confined in hydrogen-bonded frameworks: coercing conformation of a chromophore journal January 2020

Linked Research (1)

Figures / Tables (9)

Fig. 1(p. 3)figure Fig. 1
Fig. 2(p. 5)figure Fig. 2
Fig. 3(p. 6)figure Fig. 3
Table 1(p. 6)table Table 1
Fig. 4(p. 7)figure Fig. 4
Fig. 5(p. 8)figure Fig. 5
Fig. 6(p. 9)figure Fig. 6
Fig. 7(p. 10)figure Fig. 7
Fig. 8(p. 10)figure Fig. 8

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