Experimental Data

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

Chemical Name

(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid, calcium salt (2:1) trihydrate

Chemical Formula

C33H35FN2O5Ca · 3H2O

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: 17/12/08
• File: ST3391.RAW. Replaces ST3215.RAW
• ×2 ranges from 1 to 30° 2θ and summed
• PSD step: 0.2°
• Count Time: 150 seconds per step
• Binning: 4 channels per point
• Data Step: 0.02°

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

	Unit Cell Lengths (Å):		a 9.890(1)	b 29.690(1)	c 5.441(1)
	Unit Cell Angles (°):		α 96.321(3)	β 105.371(3)	γ 81.397(3)
	Unit Cell Volume (Ų):		1519

• Z: 2
• System: Triclinic
• Space Group: P1 or P-1

Reference

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