 | Acta Crystallographica Section E Acta Crystallographica Section E CRYSTALLOGRAPHIC COMMUNICATIONS |
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![[Figure 1]](wm5564fig1mag.jpg)
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Figure 1
Time-of-flight (TOF) data collected in HRPD's backscattering detectors over the range 100–200 ms at 280 K (blue) compared with a simulated diffraction pattern (red) based on the structure model of Meuthen & von Stackelberg (1960  ). The latter structure was `completed' with geometrically positioned deuterons 1.080 Å from, and co-planar with, the phenyl carbons, a deuteron placed 0.990 Å from the hydroxyl oxygen along the O–O vector that gave the smallest C—C—O—D torsion angle; the symmetry-unique water deuteron was placed 0.990 Å from the water oxygen along the remaining O–O vector. In the experimentally observed diffraction pattern, the strongest Bragg peaks in this TOF range are 122 and 220. In contrast, the intensity of 122 from the simulated pattern is extremely weak and 202 has the greatest intensity instead. |
![[Figure 1]](wm5564fig1.jpg)
| CRYSTALLOGRAPHIC COMMUNICATIONS |
ISSN: 2056-9890
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