Experimental Data

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

Chemical Name

1-[(2-dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride

Chemical Formula

C17H27NO2 · HCl

Preparation and Instrumentation Parameters

• Stoe StadiP transmission (capillary) Powder Diffractometer
• Cu Kα1 X-ray radiation
• Pre-sample germanium monochromator
• 40kV/30mA generator power
• Linear Position Sensitive Detector 6° 2θ range
• Rotating 0.5mm sample capillary
• Sieved, uncrushed
• NBS Silicon (111 reflection) calibration
• Data aquisition details:
• Date collected:
• File: ST0838.RAW
• ×1 range from 2 to 40° 2θ (1st range used only)
• PSD step: 0.1°
• Count Time: 120 seconds per step
• Binning: 4 channels per point
• Data Step: 0.02°

• Indexed using TREOR90
• Refined lattice parameters by Lebail fit:

	Unit Cell Lengths (Å):		a 5.799(1)	b 26.095(1)	c 12.081(1)
	Unit Cell Angles (°):		α 90	β 107.393(2)	γ 90
	Unit Cell Volume (Ų):		1744

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

Reference

Patent numbers (WIPO): WO0246140 and WO0236542