Sample Originator: G. Perona.
Data Collection: Thomas Gelbricha
Structure Determination: Thomas Gelbricha.
University of Southamptona
C9H14Cl2O
InChI=1/3C9H14Cl2O/c3*1-8(12)3-2-6-7(10)4-9(6,11)5-8/h3*6-7,12H,2-5H2,1H3/t3*6-,7+,8-,9+/m100/s1
| Identification Number: | 10.5258/ecrystals/402 |
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| Date Created: | 15 June 2000 |
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| Deposited On: | 18 Apr 2008 14:29 |
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| Deposited By: | Dr Thomas Gelbrich |
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Data collection parameters
| Chemical formula | C9 H14 Cl2 O |
| Crystal morphology | |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 10.7087(10) |
| Cell length b | 11.4437(13) |
| Cell length c | 13.7080(15) |
| Cell angle alpha | 110.139(4) |
| Cell angle beta | 91.011(4) |
| Cell angle gamma | 96.298(4) |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0611 |
| R Factor (All) | 0.1259 |
| Weighted R Factor (Obs) | 0.1194 |
| Weighted R Factor (All) | 0.1309 |
Citation: Gelbrich, Thomas and Peron, G. and Hursthouse, Michael B. and Kilburn, Jeremy D. (2000) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/402)
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