Sample Originator: S. Camiolo, Phil A. Gale, Mark E. Light and Michael B. Hursthouse.
C30H19N7O10 . 2C2H6OS
InChI=1/C30H19N7O10.2C2H6OS/c38-29(31-19-11-21(34(40)41)15-22(12-19)35(42)43)27-25(17-7-3-1-4-8-17)26(18-9-5-2-6-10-18)28(33-27)30(39)32-20-13-23(36(44)45)16-24(14-20)37(46)47;2*1-4(2)3/h1-16,33H,(H,31,38)(H,32,39);2*1-2H3
| Identification Number: | 10.5258/ecrystals/21 |
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| Controlled Keywords: | Supramolecular Chemistry |
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| Date Created: | 17 April 2002 |
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| Deposited On: | 21 Jan 2008 15:28 |
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| Deposited By: | A.N. Admin |
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Depositor Comments
Two new pyrrole 2,5-diamide clefts have been synthesized containing 4-nitrophenyl or 3,5-dinitrophenyl groups appended to the amide positions. The 3,5-dinitrophenyl derivative has been shown to deprotonate in the presence of fluoride, which in acetonitrile solution, gives rise to a deep blue colour.DOI: 10.1039/b210848h
Data collection parameters
| Chemical formula | C34 H31 N7 O12 S2 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 8.608(5) |
| Cell length b | 15.212(5) |
| Cell length c | 15.257(5) |
| Cell angle alpha | 67.786(5) |
| Cell angle beta | 84.475(5) |
| Cell angle gamma | 73.886(5) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0559 |
| R Factor (All) | 0.1424 |
| Weighted R Factor (Obs) | 0.0998 |
| Weighted R Factor (All) | 0.1242 |
Citation: Camiolo, S. and Gale, Phil A. and Light, Mark E. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/21)
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