Sample Originator: Donated Samplea.
Data Collection: Susanne L. Huthb and Michael B. Hursthouseb
Structure Determination: Susanne L. Huthb.
Sample kindly provided by Maybridgea
University of Southamptonb
C11H12N2O
InChI=1/C11H12N2O/c1-13-10(8-14)7-11(12-13)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3
| Identification Number: | 10.5258/ecrystals/364 |
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| Date Created: | 08 June 2007 |
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| Deposited On: | 31 Jan 2008 13:11 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Depositor Comments
More information about this compound can be found at:
http://www.maybridge.com/
Data collection parameters
| Chemical formula | C11 H12 N2 O |
| Crystal morphology | Cut Rod |
| Crystal system | Orthorhombic |
| Space group symbol | P2(1)2(1)2(1) |
| Cell length a | 6.5384(9) |
| Cell length b | 7.6439(10) |
| Cell length c | 18.418(3) |
| 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 | 0.0343 |
| R Factor (Obs) | 0.0608 |
| R Factor (All) | 0.1113 |
| Weighted R Factor (Obs) | 0.1241 |
| Weighted R Factor (All) | 0.1420 |
Citation: Sample, Donated and Huth, Susanne L. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/364)
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