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3,4-Diphenyl-furan-2,5-dicarboxylic acid bis-phenylamide acetonitrile solvate

Sample Originator: C. N. Warriner, S. Camiolo, Phil A. Gale and Michael B. Hursthouse.

Data Collection: Mark E. Light

Structure Determination: Mark E. Light.

C30H22N2O3 . C2H3N

InChI=1/C30H22N2O3.C2H3N/c33-29(31-23-17-9-3-10-18-23)27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(35-27)30(34)32-24-19-11-4-12-20-24;1-2-3/h1-20H,(H,31,33)(H,32,34);1H3

Identification Number:10.5258/ecrystals/28
Controlled Keywords:Supramolecular Chemistry
Date Created:16 September 2002
Deposited On:21 Jan 2008 15:27
Deposited By:A.N. Admin

Depositor Comments

3,4-Diphenylfuran-2,5-dicarboxylic acid bis-N-phenylamide 1 and 3,4-biphenyl-furan-2,5-dicarboxylic acid bis-N-butylamide 2 have been synthesised and shown to act as fluoride selective anion receptors in DMSO-d6/0.5% water solution. DOI: 10.1016/S0040-4039(02)02883-6

Data collection parameters

Chemical formulaC32 H25 N3 O3
Crystal morphology
Crystal systemMonoclinic
Space group symbolP21/n
Cell length a8.8334(2)
Cell length b15.6053(4)
Cell length c19.0971(7)
Cell angle alpha90.00
Cell angle beta102.4470(10)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0435
R Factor (All)0.0763
Weighted R Factor (Obs)0.0987
Weighted R Factor (All)0.1127

Citation: Warriner, C. N. and Camiolo, S. and Gale, Phil A. and Hursthouse, Michael B. and Light, Mark E. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/28)
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Available Files

Final Result

02SOT097.CIF16k
02sot097.cml9k

Validation

02SOT097_checkcif.htm8k

Refinement

02sot097.RES9k

Solution

02sot097.PRP7k

Processing

02SOT097.htm5k
02sot097.HKL374k

Other Files

02SOT097.doc553k
02SOT097_ellipsoid.gif20k
02sot097.LST47k
02sot097.mol5k

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