Sample Originator: John Spencera.
Data Collection: Louise Maleb
Structure Determination: Louise Maleb and Michael B. Hursthouseb.
University of Greenwicha
University of Southamptonb
C14H15NO
InChI=1/2C14H17NO/c2*16-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15-14/h2*4-5,8-10,15-16H,1-3,6-7H2
| Identification Number: | 10.5258/ecrystals/351 |
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| Date Created: | 10 August 2007 |
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| Deposited On: | 21 Jan 2008 15:31 |
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| Deposited By: | Dr Louise Male |
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Data collection parameters
| Chemical formula | C14 H15 N O |
| Crystal morphology | Needle |
| Crystal system | Triclinic |
| Space group symbol | P -1 |
| Cell length a | 5.37320(10) |
| Cell length b | 13.4962(4) |
| Cell length c | 15.8088(5) |
| Cell angle alpha | 95.3890(10) |
| Cell angle beta | 98.498(2) |
| Cell angle gamma | 101.201(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0660 |
| R Factor (All) | 0.0940 |
| Weighted R Factor (Obs) | 0.1210 |
| Weighted R Factor (All) | 0.1360 |
Citation: Spencer, John and Male, Louise and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/351)
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