Methyl 1,2-(acetoxy-C,O)-3-hydroxy-5,6-(methylenedioxy-O,O')-3-(3,4-methylenedioxyphenyl)indan-2-carboxylate

Sample Originator: Mark E. Light, Simon J. Coles, Michael B. Hursthouse, P. V. Subhash, S. G. A. Moinuddin, C. Kamakshi, R. Venkateswarlu, R. S. Ward and A. Pelter.



Identification Number:10.5258/ecrystals/69
Controlled Keywords:cinnamates, coupling reactions, acidic-oxidative conditions, novel lignans
Date Created:01 April 2001
Deposited On:21 Jan 2008 15:28
Deposited By:A.N. Admin

Depositor Comments

It is confirmed that the dimerisation of methyl dialkoxycinnamates in acidic conditions yields trisubstituted indanes. When the reactions are carried out for 1.5 h/0°C in acidic conditions in the presence of DDQ then a variety of lignan types result, two of which represent new classes of lignans.DOI: 10.1016/S0040-4020(01)00742-6

Data collection parameters

Chemical formulaC21 H16 O9
Crystal morphology
Crystal systemOrthorhombic
Space group symbolPbca
Cell length a7.41810(10)
Cell length b16.6837(3)
Cell length c27.9934(5)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0501
R Factor (All)0.1285
Weighted R Factor (Obs)0.0858
Weighted R Factor (All)0.1049

Citation: Light, Mark E. and Coles, Simon J. and Hursthouse, Michael B. and Subhash, P. V. and Moinuddin, S. G. A. and Kamakshi, C. and Venkateswarlu, R. and Ward, R. S. and Pelter, A. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/69)
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