Sample Originator: Anna K. Crofta.
Data Collection: Graham J. Tizzardb and Michael B. Hursthouseb
Structure Determination: Graham J. Tizzardb and Michael B. Hursthouseb.
University of Wales, Bangora
University of Southamptonb
C16H22O11
InChI=1/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13+,14+,15-,16-/m1/s1
| Identification Number: | 10.5258/ecrystals/853 |
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| Controlled Keywords: | organic structures, sugars |
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| Date Created: | 18 September 2009 |
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| Deposited On: | 16 Feb 2010 11:41 |
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| Deposited By: | Dr G J Tizzard |
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Data collection parameters
| Chemical formula | C16 H22 O11 |
| Crystal morphology | |
| Crystal system | orthorhombic |
| Space group symbol | P 21 21 21 |
| Cell length a | 8.3288(2) |
| Cell length b | 9.0098(3) |
| Cell length c | 25.4028(8) |
| 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) | 0.0445 |
| R Factor (All) | 0.0532 |
| Weighted R Factor (Obs) | 0.0854 |
| Weighted R Factor (All) | 0.0903 |
Citation: Croft, Anna K. and Tizzard, Graham J. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/853)
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