Experimental Data

Click image to access powder diffraction data (.spf format)

Chemical Name

2-[4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone

Chemical Formula

C22H19ClO3

Preparation and Instrumentation Parameters

• Stoe StadiP transmission (capillary) Powder Diffractometer
• Co Kα1 X-ray radiation
• Pre-sample germanium monochromator
• 40kV/30mA generator power
• Linear Position Sensitive Detector 6° 2θ range
• Rotating 0.6mm sample capillary
• 100 μm sieved sample (uncrushed)
• NBS Silicon (111 reflection) calibration
• Data aquisition details:
• Date collected: 05/03/08
• File: ST2688.RAW
• ×2 ranges from 3 to 35° 2θ
• PSD step: 0.2°
• Count Time: 130 seconds per step
• Binning: 4 channels per point
• Data Step: 0.02°

• Indexed using ITO12
• Refined lattice parameters by Lebail fit:

	Unit Cell Lengths (Å):		a 27.782(1)	b 5.258(1)	c 12.539(1)
	Unit Cell Angles (°):		α 90	β 87.462(3)	γ 90
	Unit Cell Volume (Ų):		1830

• Z: 4
• System: Monoclinic
• Possible Space Group: P2₁/a

Reference