2,2-dibutyl-1,3-propanediol
Data Collection: D Addya and Samantha K. Callearb Structure Determination: D Addya and Samantha K. Callearb. Poole Grammar Schoola
University of Southamptonb
C11H24O2 InChI=1/2C11H24O2/c2*1-3-5-7-11(9-12,10-13)8-6-4-2/h2*12-13H,3-10H2,1-2H3 | Identification Number: | 10.5258/ecrystals/643 |
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| Date Created: | 17 February 2009 |
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| Deposited On: | 17 Feb 2009 15:27 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters| Chemical formula | C11 H24 O2 | | Crystal morphology | Block | | Crystal system | triclinic | | Space group symbol | P-1 | | Cell length a | 9.4410(3) | | Cell length b | 10.7119(3) | | Cell length c | 13.1912(4) | | Cell angle alpha | 73.838(2) | | Cell angle beta | 86.183(2) | | Cell angle gamma | 70.395(2) | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0528 | | R Factor (All) | 0.0835 | | Weighted R Factor (Obs) | 0.1198 | | Weighted R Factor (All) | 0.1346 |
Citation: Addy, D and Callear, Samantha K. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/643)
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