Quality breakthrough: R1<10% on Triphenylbenzene

ED-1 reaches R1<10% on crystal with standard kinematic refinement
Tue, 03.05.2022

Triphenylbenzene experiments on ELDICO ED-1 brought our continuous R&D to a significant milestone: R values as low as 9% were achieved with a standard kinematical refinement from a single run.

Triphenylbenzene (C24H18) is a compound of interest found at the intersection of chemistry and physics applications. A versatile photoluminescent chemo-sensor with environmental and biological importance, it can assist with its polymeric forms to efficiently reduce low-concentration CO2 .

During one of the numerous experiments on ELDICO’s ED-1 and as part of our continuous fine-tuning of the device, we were happy to attain low R values, which signal that complementary quality to X-ray diffraction experiments is possible in nano-sized compounds while skipping the crystal growth stage.

Experimental setting

Data processing and refinement within established Apex (® Bruker) software package.  Standard kinematical refinement without taking dynamic scattering into account. Data of one single phi-scan were used.

Crystal Parameters:

Chemical formulaC24H18
Crystal systemOrthorhombic P
Space groupPna21
a, b, c (Å)7.60(4), 19.68(11), 11.25(6)
Volume (Å3)1681(16)

Refinement Details:

R1 (%)9.70
wR2 (%)28.05
Rint (%)5.6
Resolution (Å)0.99
Completeness (%)63
Independent reflections1069
Δρmin, Δρmax-0.09, 0.09

‘For me this particular experiment was thrilling as I was able to see comparable data to the industry standard attained with X-rays – now on electrons. Not to forget that this is a significant step forward for a technique that can measure very, very small crystals without the hassle of growing large enough crystals’, said Gunther Steinfeld, experienced crystallographer and ELDICO’s founder.

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