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Bis(2,4,6trimethybenzyl)pyridine-2,6-dicarboxylate

Sample Originator: J.E. Cheesewrighta and M.G. Grossela.

Data Collection: J.E. Cheesewrighta

Structure Determination: J.E. Cheesewrighta, M.C. Grossela, Michael B. Hursthousea and Simon J. Colesa.

University of Southamptona

C26H29NO4

InChI=1/C27H29NO4/c1-16-10-18(3)22(19(4)11-16)14-31-26(29)24-8-7-9-25(28-24)27(30)32-15-23-20(5)12-17(2)13-21(23)6/h7-13H,14-15H2,1-6H3

Identification Number:10.5258/ecrystals/313
Date Created:25 May 2007
Deposited On:21 Jan 2008 15:30
Deposited By:Dr Simon J Coles

Data collection parameters

Chemical formulaC27 H29 N O4
Crystal morphologyNeedle
Crystal systemmonoclinic
Space group symbolC12/c1
Cell length a21.5033(15)
Cell length b6.2034(4)
Cell length c19.1972(13)
Cell angle alpha90.00
Cell angle beta114.465(7)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.1161
R Factor (All)0.1550
Weighted R Factor (Obs)0.3106
Weighted R Factor (All)0.3358

Citation: Cheesewright, J.E. and Grossel, M.G. and Grossel, M.C. and Hursthouse, Michael B. and Coles, Simon J. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/313)
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