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00SRC244(627) - C40H48N8

Sample Originator: Norman A. Bella.

Data Collection: Mark E. Lightb and Michael B. Hursthouseb

Structure Determination: Mark E. Lightb.

Sheffield Hallam Universitya
University of Southamptonb

C40H48N8

InChI=1/2C20H26N4/c2*21-15-19(16-22)17-7-9-18(10-8-17)20(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h2*7-10,19-20H,1-6,11-14H2

Date Created:28 June 2000
Deposited On:23 Dec 2014 13:03
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC40 H48 N8
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a8.71760(10)
Cell length b13.4265(2)
Cell length c16.1511(4)
Cell angle alpha95.5550(10)
Cell angle beta101.9900(10)
Cell angle gamma104.5180(10)
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0408
R Factor (All)0.0671
Weighted R Factor (Obs)0.0940
Weighted R Factor (All)0.1062

Citation: Bell, Norman A. and Light, Mark E. and Hursthouse, Michael B. (2000) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/736/)
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Available Files

Final Result

00SRC244.cif24k
00SRC244.cml13k

Validation

00SRC244_checkcif.htm9k

Refinement

00SRC244.res13k

Processing

00SRC244.HKL580k
00SRC244.HTM6k

Other Files

00SRC244.DOC77k
00SRC244.inchi3k
00SRC244.mol7k
00SRC244_ellipsoid.gif23k

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