Sample Originator: Janette Sawdena.
Data Collection: Michael B. Hursthouseb
Structure Determination: Michael B. Hursthouseb.
University of Exetera
University of Southamptonb
C13H19ClO8
InChI=1/C13H19ClO8/c1-7(15)19-6-12(21-9(3)17)13(22-10(4)18)11(5-14)20-8(2)16/h11-13H,5-6H2,1-4H3/t11-,12-,13+/m1/s1
| Identification Number: | 10.5258/ecrystals/1183 |
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| Controlled Keywords: | organic compounds |
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| Date Created: | 18 January 1993 |
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| Deposited On: | 16 Feb 2010 13:47 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
The electronic files for this structure were recovered from floppy diskette and unfortunately no metadata is available.
Data collection parameters
| Chemical formula | C13 H19 Cl O8 |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | P212121 |
| Cell length a | 7.9919(4) |
| Cell length b | 22.982(6) |
| Cell length c | 8.845(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 293(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0316 |
| R Factor (All) | 0.0409 |
| Weighted R Factor (Obs) | 0.0763 |
| Weighted R Factor (All) | 0.0900 |
Citation: Sawden, Janette and Hursthouse, Michael B. (1993) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1183)
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