2,2-diethyl-1,3-propanediol
Data Collection: D Gillotta and Samantha K. Callearb Structure Determination: D Gillotta and Samantha K. Callearb. Alton collegea
University of Southamptonb
C7H16O2 InChI=1/2C7H16O2/c2*1-3-7(4-2,5-8)6-9/h2*8-9H,3-6H2,1-2H3 | Identification Number: | 10.5258/ecrystals/642 |
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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 | C7 H16 O2 | | Crystal morphology | Block | | Crystal system | monoclinic | | Space group symbol | P21/c | | Cell length a | 12.1273(3) | | Cell length b | 11.4724(4) | | Cell length c | 11.5592(4) | | Cell angle alpha | 90.00 | | Cell angle beta | 90.735(2) | | Cell angle gamma | 90.00 | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0964 | | R Factor (All) | 0.1426 | | Weighted R Factor (Obs) | 0.1650 | | Weighted R Factor (All) | 0.1888 |
Citation: Gillott, D and Callear, Samantha K. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/642)
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