Experimental Data

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

Chemical Name

Sodium [1S-[1α(β*,δ*2α,6α,8β(R*,8aα]]-1,2,6,7,8,8a-hexahydro-β,δ6-trihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-1-naphthaline-heptanate

Chemical Formula

C23H35O7Na

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
• Lightly crushed, 75μm sieved
• NBS Silicon (111 reflection) calibration
• Data aquisition details:
• Date collected: 03/11/03
• File: ST0870.RAW
• ×2 ranges from 2 to 40° 2θ (1st range used only)
• PSD step: 0.1°
• Count Time: 80 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 42.246(5)	b 44.652(4)	c 5.457(1)
	Unit Cell Angles (°):		α 90	β 93.501(13)	γ 90
	Unit Cell Volume (Ų):		10294

• Z: 18
• System: Monoclinic
• Possible Space Group: P2₁/a

The unit cell was confirmed in 2007 from analysis of data collected from a high resolution synchrotron source.

Reference

Patent numbers (WIPO): WO0110813, WO0143723, WO03063836