Sample Originator: Mark E. Wooda.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb and Steven J. Lamondb.
University of Exetera
University of Southamptonb
C~29~H22~I~2~N~2~O~2~
InChI=1/C20H22I2N2O2/c21-17-7-3-1-5-15(17)13-23-9-11-26-20-19(23)25-12-10-24(20)14-16-6-2-4-8-18(16)22/h1-8,19-20H,9-14H2/t19-,20-/m0/s1
| Controlled Keywords: | heterocycles, iodine compounds |
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| Date Created: | 07 March 2002 |
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| Deposited On: | 16 Feb 2010 11:11 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
Resolved as original files lost.
Data collection parameters
| Chemical formula | C20 H22 I2 N2 O2 |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | Pca2(1) |
| Cell length a | 13.4920(5) |
| Cell length b | 4.7287(2) |
| Cell length c | 31.3743(16) |
| 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) | 0.0394 |
| R Factor (All) | 0.0580 |
| Weighted R Factor (Obs) | 0.0674 |
| Weighted R Factor (All) | 0.0726 |
Citation: Wood, Mark E. and Coles, Simon J. and Hursthouse, Michael B. and Lamond, Steven J. (2002) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/999/)
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