Experimental Data

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

Chemical Name

11-[4-/2-(2-hydroxyethoxy)ethyl/-1-piperazinyl]dibenzo[b,f]-1,4-thiazepine

Chemical Formula

C21H25N3O2S

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
• uncrushed, unsieved sample
• NBS Silicon (111 reflection) calibration
• Data aquisition details:
• Date collected: 10/09/04
• File: ST1180.RAW
• ×2 ranges from 5 to 35° 2θ
• PSD step: 0.1°
• Count Time: 100 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 11.965(1)	b 13.228(1)	c 13.962(1)
	Unit Cell Angles (°):		α 90	β 92.292(1)	γ 90
	Unit Cell Volume (Ų):		2208

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

Reference

World Patent: WO0155125A1