Sample Originator: Peter J. Hollimana.
Data Collection: Peter N. Hortonb
Structure Determination: Peter N. Hortonb and Michael B. Hursthouseb.
University of Wales, Bangora
University of Southamptonb
C12H16IN
InChI=1/C12H17N.HI/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;/h5-9H,1-4H3;1H
| Identification Number: | 10.5258/ecrystals/1249 |
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| Controlled Keywords: | crystal structures of small organic molecules, small organic salts |
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| Date Created: | 18 August 2009 |
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| Deposited On: | 26 Jan 2010 11:36 |
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| Deposited By: | Dr Peter N Horton |
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Depositor Comments
User refcode:- ACC3SQIS(2)
Data collection parameters
| Chemical formula | C12 H16 I N |
| Crystal morphology | Blade |
| Crystal system | orthorhombic |
| Space group symbol | P2(1)2(1)2(1) |
| Cell length a | 6.95290(10) |
| Cell length b | 11.4620(3) |
| Cell length c | 15.7644(5) |
| 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 | 0.0195 |
| R Factor (Obs) | 0.0261 |
| R Factor (All) | 0.0282 |
| Weighted R Factor (Obs) | 0.0509 |
| Weighted R Factor (All) | 0.0520 |
Citation: Holliman, Peter J. and Horton, Peter N. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1249)
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