Sample Originator: A. Dervisia.
Data Collection: Samantha K. Callearb and Michael B. Hursthouseb
Structure Determination: Samantha K. Callearb.
Cardiff Universitya
University of Southamptonb
C18H28I2N4O2
InChI=1/2C9H17N2O.2HI/c2*1-8(2)10-4-5-11(7-10)9(3)6-12;;/h2*4-5,7-9,12H,6H2,1-3H3;2*1H/t2*9-;;/m11../s1
| Identification Number: | 10.5258/ecrystals/658 |
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| Date Created: | 12 March 2009 |
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| Deposited On: | 09 Apr 2009 10:43 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C18 H28 I2 N4 O2 |
| Crystal morphology | Block |
| Crystal system | orthorhombic |
| Space group symbol | P212121 |
| Cell length a | 8.9301(2) |
| Cell length b | 10.8793(2) |
| Cell length c | 23.2605(4) |
| 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 | |
| R Factor (Obs) | 0.0313 |
| R Factor (All) | 0.0374 |
| Weighted R Factor (Obs) | 0.0689 |
| Weighted R Factor (All) | 0.0723 |
Citation: Dervisi, A. and Callear, Samantha K. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/658)
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