Quality breakthrough: R1<10% on Triphenylbenzene
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 formula | C24H18 |
| Crystal system | Orthorhombic P |
| Space group | Pna21 |
| a, b, c (Å) | 7.60(4), 19.68(11), 11.25(6) |
| Volume (Å3) | 1681(16) |
| Z | 4 |
| F(000) | 648 |
Refinement Details:
| R1 (%) | 9.70 |
| wR2 (%) | 28.05 |
| GoF | 1.15 |
| Rint (%) | 5.6 |
| Resolution (Å) | 0.99 |
| Completeness (%) | 63 |
| Independent reflections | 1069 |
| 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.
