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Shelxtl 97

Manufactured by Bruker

SHELXTL-97 is a software package designed for the determination and refinement of crystal structures from X-ray diffraction data. It provides a comprehensive set of tools for data processing, structure solution, and structure refinement.

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2 protocols using shelxtl 97

1

Single Crystal X-ray Structural Analysis

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X-ray analyses have been performed on Bruker SMART APEX II Single Crystal X-ray Diffractometer equipped with graphite-monochromated Mo-Kα radiation (λ = 0.71073 Å). The crystal structure was solved by direct methods and refined on F2 by full matrix least-squares using Bruker's SHELXTL-97.105 Crystallographic data for the structural analysis have been deposited to the Cambridge Crystallographic Data Center (CCDC 1998538 for 2, CCDC 1998557 for 3, CCDC 1998539 for 7, CCDC 1998546 for 14 and CCDC 1998547 for 20).
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2

Comprehensive Spectroscopic Analysis of Compound

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1H NMR, 13C NMR, 1H,1H-COSY NMR, 1H,1H-NOESY NMR, 1H,13C-HSQC NMR and 1H,13C-HMBC NMR spectra were recorded on a DMX600 NMR. MALDI-TOF mass spectra were obtained on a BIFLEXIII mass spectrometer. CD spectra were recorded on J-810 Jasco Japan. SEM studies were conducted on JSM6510LV. TEM studies were conducted on a Tecnai G220 electron microscope. The X-ray intensity data were collected on a standard Bruker SMART-1000 CCD Area Detector System equipped with a normal-focus molybdenum-target X-ray tube (λ = 0.71073 Å) operated at 2.0 kW (50 kV, 40 mA) and a graphite monochromator. The structures were solved by using direct methods and were refined by employing full-matrix least-squares cycles on F2 (Bruker, SHELXTL-97).
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