Experimental Data

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

Chemical Name

(2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid

Chemical Formula

C24H34N2O5

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 0.6mm sample capillary
• uncrushed, unsieved sample
• NBS Silicon (111 reflection) calibration
• Data aquisition details:
• Date collected: 08/12/08
• File: ST3369.RAW
• ×2 ranges from 2 to 40° 2θ
• PSD step: 0.2°
• Count Time: 150 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 15.068(1)	b 19.764(1)	c 7.671(1)
	Unit Cell Angles (°):		α 90	β 90	γ 90
	Unit Cell Volume (Ų):		2284

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

Reference