Sample Originator: P. G. Taylora.
Data Collection: Samantha K. Callearb and Michael B. Hursthouseb
Structure Determination: Samantha K. Callearb.
Open Universitya
University of Southamptonb
C~6~H~3~ClF~3NO
InChI=1/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)
| Identification Number: | 10.5258/ecrystals/700 |
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| Date Created: | 06 April 2009 |
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| Deposited On: | 09 Apr 2009 10:14 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C6 H3 Cl F3 N O |
| Crystal morphology | Block |
| Crystal system | monoclinic |
| Space group symbol | P21/c |
| Cell length a | 10.8836(11) |
| Cell length b | 8.4697(9) |
| Cell length c | 7.9738(7) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 102.651(6) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0513 |
| R Factor (All) | 0.0826 |
| Weighted R Factor (Obs) | 0.1158 |
| Weighted R Factor (All) | 0.1290 |
Citation: Taylor, P. G. and Callear, Samantha K. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/700)
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