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1,3-Bis(4-trifluoromethylphenyl)thiourea with tetramethylammonium acetate

Sample Originator: Isabelle Kirbya.

Data Collection: Isabelle Kirbya

Structure Determination: Isabelle Kirbya.

University of Southamptona

Controlled Keywords:anion binding
Date Created:08 August 2013
Deposited On:03 Sep 2015 13:24
Deposited By:Dr Isabelle Kirby

Data collection parameters

Chemical formulaC21 H27 F6 N3 O3 S
Crystal morphology
Crystal systemOrthorhombic
Space group symbolPbca
Cell length a18.0324(8)
Cell length b14.0781(5)
Cell length c18.8217(9)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.1105
R Factor (All)0.1394
Weighted R Factor (Obs)0.2344
Weighted R Factor (All)0.2495

Citation: Kirby, Isabelle and Coles, Simon and Gale, Philip (2013) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1704/)
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Available Files

Final Result

1,3-bis(trifluoromethylphenyl)thiourea_TMAOAc.cif28k
2011ilk0011b.cml9k

Validation

2011ilk0011b_checkcif.htm1k

Refinement

2011ilk0011b.res10k

Processing

2011ilk0011b.hkl1205k

Other Files

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