Sample Originator: John Spencera.
Data Collection: Louise Maleb
Structure Determination: Louise Maleb and Michael B. Hursthouseb.
University of Greenwicha
University of Southamptonb
C11H11N1O1
InChI=1/3C11H13NO/c3*1-7(2)10-8-5-3-4-6-9(8)12-11(10)13/h3*3-7,12-13H,1-2H3
| Identification Number: | 10.5258/ecrystals/348 |
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| Date Created: | 03 August 2007 |
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| Deposited On: | 21 Jan 2008 15:29 |
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| Deposited By: | Dr Louise Male |
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Data collection parameters
| Chemical formula | C11 H11 N O |
| Crystal morphology | Plate |
| Crystal system | Triclinic |
| Space group symbol | P -1 |
| Cell length a | 9.7504(3) |
| Cell length b | 10.2281(3) |
| Cell length c | 14.0530(5) |
| Cell angle alpha | 95.766(2) |
| Cell angle beta | 107.842(2) |
| Cell angle gamma | 96.617(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0788 |
| R Factor (All) | 0.1204 |
| Weighted R Factor (Obs) | 0.1445 |
| Weighted R Factor (All) | 0.1681 |
Citation: Spencer, John and Male, Louise and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/348)
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