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 |
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| Date Created: | 08 August 2013 |
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| Deposited On: | 03 Sep 2015 13:24 |
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| Deposited By: | Dr Isabelle Kirby |
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Data collection parameters| Chemical formula | C21 H27 F6 N3 O3 S | | Crystal morphology | | | Crystal system | Orthorhombic | | Space group symbol | Pbca | | Cell length a | 18.0324(8) | | Cell length b | 14.0781(5) | | Cell length c | 18.8217(9) | | Cell angle alpha | 90.00 | | Cell angle beta | 90.00 | | Cell angle gamma | 90.00 | | Data collection temperature | 120(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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