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Supernova 4 circle diffractometer system

Manufactured by Agilent Technologies

The Supernova 4 circle diffractometer system is a laboratory instrument designed for X-ray diffraction analysis. It is used to study the atomic and molecular structure of crystalline materials. The system features four independent rotation axes that allow for precise positioning and measurement of samples during the diffraction process.

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2 protocols using supernova 4 circle diffractometer system

1

Single-crystal XRD analysis of compound 6

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Crystals of 6 suitable for the single-crystal X-ray diffraction study were grown from DCM/hexane. The X-ray intensity data were measured on an Agilent Supernova 4 circle diffractometer system equipped with a copper (CuKα) microsource and an Atlas CCD detector. The data were collected and integrated with CrysAlis171 software (version 1.171.38.43d). Data were corrected for absorption effects using the multi-scan method CrysAlis171 software (version 1.171.38.43d) Agilent Technologies, Oxfordshire, UK.
The sample’s low temperature was maintained by keeping it in the cold nitrogen stream, using Oxford Cryosystems cooling devices.
The structure was solved by direct methods using SXELXS [42 (link)] and refined by the full-matrix least squares procedure with SHELXL [40 (link)] within an OLEX2 [43 (link)] graphical interface. Figures were produced with Mercury_3.10 [44 (link)] software.
All H atoms were visible in the residual density map, but were added geometrically and refined mostly in riding approximation.
Detailed information about the data processing, structure solution, and refinement is presented in Table S1.
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2

Single Crystal X-ray Diffraction Protocol

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The X-ray intensity data were measured on an Agilent Supernova 4 circle diffractometer system equipped with a copper (CuKα) microsource and an Atlas CCD detector. The data were collected and integrated with CrysAlis171 software (version 1.171.38.43d). The data were corrected for absorption effects using the multi-scan method CrysAlis171 software (version 1.171.38.43d).
The low temperature of the sample was maintained by keeping it in a cold nitrogen stream, using Oxford Cryosystems cooling devices.
The structure was solved by direct methods using SXELXS [35 (link)] and refined by full-matrix least squares procedure with SHELXL [35 (link)] within an OLEX2 [36 (link)] graphical interface. Figures were produced with Mercury_3.10 [37 (link)] software.
All H atoms were visible in the residual density map, but were added geometrically and refined mostly in riding approximation.
Detailed information about the data processing, structure solution and refinement are presented in Table S1.
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