N-((2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-3-yl)-phthalamic acid
University of Southamptona
University of Wales, Bangorb
C14H15NO7 InChI=1/C14H17NO8/c16-5-8-10(17)11(18)9(14(22)23-8)15-12(19)6-3-1-2-4-7(6)13(20)21/h1-4,8-11,14,16-18,22H,5H2,(H,15,19)(H,20,21)/t8-,9-,10-,11-,14+/m1/s1 | Identification Number: | 10.5258/ecrystals/871 |
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| Controlled Keywords: | organic compounds |
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| Date Created: | 02 October 2009 |
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| Deposited On: | 16 Feb 2010 11:35 |
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| Deposited By: | Dr G J Tizzard |
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Data collection parameters| Chemical formula | C14 H17 N O8 | | Crystal morphology | Plate | | Crystal system | orthorhombic | | Space group symbol | P 21 21 21 | | Cell length a | 4.75500(10) | | Cell length b | 12.4624(3) | | Cell length c | 24.7840(7) | | 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) | 0.0492 | | R Factor (All) | 0.0618 | | Weighted R Factor (Obs) | 0.0863 | | Weighted R Factor (All) | 0.0923 |
Citation: Tizzard, Graham J. and Hursthouse, Michael B. and Croft, Anna K. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/871)
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