Experimental Data

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

Chemical Name

[(8R)-1-azabicyclo[2.2.2]octan-8-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate; butanedioic acid

Chemical Formula

C27H32N2O6

Preparation and Instrumentation Parameters

• Stoe StadiP transmission (capillary) Powder Diffractometer
• Cu Kα1 X-ray radiation
• Pre-sample germanium monochromator
• 40kV/25mA 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: 10/08/09
• File: ST3803.RAW
• ×2 ranges from 2 to 45° 2θ and summed
• PSD step: 0.2°
• Count Time: 100 seconds per step
• Binning: 4 channels per point
• Data Step: 0.02°

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

	Unit Cell Lengths (Å):		a 23.862(1)	b 7.826(1)	c 6.471(1)
	Unit Cell Angles (°):		α 90	β 89.773(3)	γ 90
	Unit Cell Volume (Ų):		1208

• Z: 2
• System: Monoclinic
• Possible Space Group: P 21

Reference

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