Sample Originator: Francesco Devillanovaa, Carla Aragonia and Massimiliano Arcaa.
Data Collection: Michael B. Hursthouseb
Structure Determination: Susanne L. Huthb.
Universitario di Monserrato, Cagliari, Italya
University of Southamptonb
C20H13Br7N2
InChI=1/C20H14Br4N2.Br2.BrH/c21-17(19(23)15-3-1-9-25-11-15)13-5-7-14(8-6-13)18(22)20(24)16-4-2-10-26-12-16;1-2;/h1-11,26H,12H2;;1H/b19-17-,20-18+;;
| Identification Number: | 10.5258/ecrystals/234 |
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| Date Created: | 14 December 2006 |
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| Deposited On: | 21 Jan 2008 15:29 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C20 H13 Br7 N2 |
| Crystal morphology | Block |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 7.0558(3) |
| Cell length b | 13.6319(3) |
| Cell length c | 14.1191(5) |
| Cell angle alpha | 106.205(2) |
| Cell angle beta | 95.292(2) |
| Cell angle gamma | 104.352(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0402 |
| R Factor (All) | 0.0710 |
| Weighted R Factor (Obs) | 0.0795 |
| Weighted R Factor (All) | 0.0895 |
Citation: Devillanova, Francesco and Aragoni, Carla and Arca, Massimiliano and Hursthouse, Michael B. and Huth, Susanne L. (2006) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/234)
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