1,1-bis(2-Pyrrolyl)-1-(3,4,5-tribromo-2-pyrrolyl)ethane

Sample Originator: Michael B. Hursthouse, Phil A. Gale, Mark E. Light and C. N. Warriner.

C₁₄H₁₂Br₃N₃

InChI=1/2C14H12Br3N3/c2*1-14(8-4-2-6-18-8,9-5-3-7-19-9)12-10(15)11(16)13(17)20-12/h2*2-7,18-20H,1H3

Identification Number:	10.5258/ecrystals/45
Controlled Keywords:	Supramolecular Chemistry
Date Created:	10 March 2003
Deposited On:	21 Jan 2008 15:28
Deposited By:	A.N. Admin

Depositor Comments

A new calix[4]pyrrole has been synthesised that contains a 3,4,5-trisbromopyrrole appended to a meso-position which shows enhanced anion affinity as compared to the parent meso-octamethylcalix[4]pyrrole macrocycle.DOI: 10.1039/b303959e

Data collection parameters

Chemical formula	C14 H12 Br3 N3
Crystal morphology
Crystal system	Monoclinic
Space group symbol	P21/c
Cell length a	17.13(4)
Cell length b	10.965(8)
Cell length c	17.450(15)
Cell angle alpha	90.00
Cell angle beta	114.25(7)
Cell angle gamma	90.00
Data collection temperature	120(2)

Refinement results

Solution figure of merit
R Factor (Obs)	0.0480
R Factor (All)	0.0915
Weighted R Factor (Obs)	0.0952
Weighted R Factor (All)	0.1081

Citation: Hursthouse, Michael B. and Gale, Phil A. and Light, Mark E. and Warriner, C. N. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/45)
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