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97SRC016 (988) - C26H26BrNO

Sample Originator: Andy Peltera.

Data Collection: Dai E. Hibbsb and Michael B. Hursthousec

Structure Determination: Dai E. Hibbsb.

University College of Swanseaa
Univeristy of Sydneyb
University of Southamptonc

C26H26BrNO

InChI=1/C26H26BrNO/c1-28(26(29)24(27)17-21-5-3-2-4-6-21)25-18-22-12-11-19-7-9-20(10-8-19)13-15-23(25)16-14-22/h2-10,14,16,18,24H,11-13,15,17H2,1H3/t24-/m1/s1

Date Created:03 February 1997
Deposited On:23 Dec 2014 13:19
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC26 H26 Br N O
Crystal morphology
Crystal systemOrthorhombic
Space group symbolP2(1)2(1)2(1)
Cell length a8.028(3)
Cell length b10.396(2)
Cell length c24.955(2)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature293(2)

Refinement results

Solution figure of merit
R Factor (Obs)
R Factor (All)0.1004
Weighted R Factor (Obs)
Weighted R Factor (All)

Citation: Pelter, Andy and Hibbs, Dai E. and Hursthouse, Michael B. (1997) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/791/)
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Available Files

Final Result

97SRC016.CIF16k
97SRC016.cml8k

Validation

97SRC016_checkcif.htm16k

Refinement

97SRC016.res6k

Processing

97SRC016.HKL240k

Other Files

97SRC016.inchi2k
97SRC016.mol4k
97SRC016.txt13k
97SRC016_ellipsoid.gif24k

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