Sample Originator: S. Camiolo, Phil A. Gale, Mark E. Light and Michael B. Hursthouse.
C30H19N7O10
InChI=1/C30H19N7O10/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/h1-16,33H,(H,31,38)(H,32,39)
| Identification Number: | 10.5258/ecrystals/20 |
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| Controlled Keywords: | Supramolecular Chemistry |
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| Date Created: | 12 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 | C30 H19 N7 O10 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P21/c |
| Cell length a | 20.3034(11) |
| Cell length b | 10.1636(5) |
| Cell length c | 13.4570(6) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 104.057(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0550 |
| R Factor (All) | 0.1256 |
| Weighted R Factor (Obs) | 0.1074 |
| Weighted R Factor (All) | 0.1308 |
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/20)
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