Experimental Data

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

Chemical Name

(4aS,6R,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-methyl-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-ol

Chemical Formula

C17H21NO3

Preparation and Instrumentation Parameters

• Stoe StadiP transmission (capillary) Powder Diffractometer
• Cu Kα1 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: 18/03/09
• File: ST3552.RAW
• ×2 ranges from 2 to 40° 2θ and summed
• PSD step: 0.2°
• Count Time: 120 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 14.316(1)	b 15.898(1)	c 7.365(1)
	Unit Cell Angles (°):		α 90	β 90	γ 90
	Unit Cell Volume (Ų):		1676

• Z: 4
• System: Orthorhombic
• Possible Space Group: P212121